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C***********************************************************************
C P R O G R A M C E A 2
C
C CHEMICAL EQULIBRIUM WITH APPLICATIONS 5/21/04
C***********************************************************************
C 11/01/94 - CORRECTION IN EQLBRM TEST FOR CONVERGENCE ON CONDENSED
C CHANGED FROM: DABS(DELN(J))<.5D-05
C TO: DABS(DELN(J)/TOTN(NPT))<.5D-05
C 06/03/96 - INFREE CHANGED TO BE MORE COMPATIABLE WITH VARIOUS FORTRAN
C COMPILERS AND TO ACCEPT NUMERICS WITH UP TO 24 CHARACTERS.
C 07/05/96 - CORRECTIONS MADE FOR COMPATIBILITY WITH OTHER COMPILERS.
C 08/29/96 - CORRECTION IN EQLBRM TO CORRECT FOR CONDENSED SPECIES
C TEST AT TEMPERATURE INTERVAL OVERLAP POINTS.
C 09/17/96 - ADD 2 MORE VARIABLES FOR PLOTING, THE VOLUME PARTIAL
C DERIVATIVES: (DLNV/DLNT)P AND (DLNV/DLNP)T AS DEFINED
C IN EQUATIONS (2.50) AND (2.51) IN RP-1311,PT1. THE PLOT
C LIST VARIABLES IN DATASET 'OUTPUT' HAVE EMBEDDED STRINGS
C 'DLNT' AND 'DLNP' RESPECTIVELY (E.G. 'DLNV/DLNT' OR
C '(DLNV/DLNP)T'
C 10/18/96 - CORRECT INFREE SO THAT NUMERICAL INPUT ARRAYS MAY BE SPLIT
C FROM RECORD TO RECORD.
C 12/11/96 - INPUT: ELIMINATE 'PSI' POSSIBILITY IN PCP CHECK.
C 12/12/96 - INPUT: WRITE MESSAGE WHEN VALUES OF P OR T ARE MISSING.
C 01/31/97 - MAIN: REVERSE ORDER FOR INSERTING CONDENSED SO THAT HIGHEST
C T INTERVAL IS INSERTED.
C 01/31/97 - EQLBRM: CHECK ON INITIAL T INTERVALS FOR NON-TP PROBLEMS
C WHEN A T ESTIMATE IS GIVEN. IF NO T EST., USE 3800K.
C 01/31/97 - THERMP: REMOVE INITIAL ESTIMATE OF 3800K WHEN NO T IS GIVEN
C 03/18/97 - INPUT: INSURE THAT INPUT VARIABLES P,T,MACH,U1,V,RHO,SUBAR,
C SUPAR,O/F,AND PCP DO NOT EXCEED STORAGE. WRITE MESSAGE IF
C TOO MANY VALUES ARE LISTED IN THE INPUT FILE.
C 03/18/97 - SEARCH: IFZ(NC+1) SET TO 0. CAUSED PROBLEMS WITH CONDENSED.
C 03/20/97 - MAIN: CHECK FOR 100%FUEL WHEN OXIDANT IS GIVEN AND OMITTING
C THE OXIDANT CHANGES THE CHEMICAL SYSTEM. FATAL ERROR MESSAGE.
C 03/21/97 - MAIN: FOR NON-TP CASES AND FIRST POINT AND NO T ESTIMATE IS
C GIVEN, AND CONDENSED SPECIES ARE INSERTED, ESTIMATE T TO BE
C THE LOWEST T MAXIMUM OF THE INSERTED SPECIES MINUS 10K..
C 04/22/97 - HCALC AND DETON: CEA WAS ALLOWING ALLOWING EXECUTION OF
C DETON PROBLEMS WITH CONDENSED REACTANTS.
C 04/28/97 - EQLBRM: CORRECT PHASES OF CONDENSED PRODUCTS WERE NOT BEING
C CHECKED AT THE BEGINING OF THE ROUTINE FOR TP PROBLEMS.
C 08/11/97 - SEARCH: PRINT MESSAGE FOR EXCEEDING MAXNGC,MAXNG, OR MAXNC.
C 09/04/97 - MAIN,SEARCH: CHECK TO SEE IF PRODUCTS CONTAIN ALL ELEMENTS.
C 10/09/97 - REACT,HCALC: CHANGE ERROR MESSAGE FOR REACTANT DATA NOT
C FOUND IN THERMO.LIB.
C 12/22/97 - INTRODUCE VARIABLE ARRAY SIZES FOR INPUT VARIABLES P,T,V,
C (CORRECTED AND REACTANT MIXTURES. THESE MAXIMUM VALUES ARE
C IN 1/29/98) PARAMETER STATEMENTS
C MAXPV - MAX NUMBER OF PRESSURES OR DENSITIES (DEFAULT 26)
C MAXT - MAX NUMBER OF TEMPERATURES (DEFAULT 51)
C MAXMIX - MAX NUMBER OF MIXTURE VALUES (DEFAULT 52)
C 02/12/98 - UTHERM: CHECK FOR NUMBER OF T INTERVALS (NT) BEING > 3 FOR
C GASES (IFAZ=0). IF SO, EXIT WITH MESSAGE.
C 03/02/98 - INCREASE DIMENSIONS OF VARIABLES FOR PLOT DUMP - PLTVAR,
C PLTOUT,MAX NPLT, AND FORMAT STATEMENT IN MAIN.
C 03/10/98 - CORRECTED 3/2/98 CHANGE.
C 05/20/98 - UTHERM & HCALC. CORRECTED 'AIR' CALCULATIONS ABOVE 6000K
C IN HCALC BY USING COEFS FOR 1000-6000. CORRECT MOLAR AMTS
C IN UTHERM.
C 12/01/98 - INFREE & INPUT. CHANGED ICH ARRAY.
C 02/12/99 - UTHERM & SEARCH. ADDED DATE TO THERMO DATA.
C VARFMT. ELIMINATE "," BEFORE ")" IN FORMAT FMT.
C 02/16/99 - INFREE. USE "CTRL I" FOR TAB.
C 04/16/99 - NOTE: THIS VERSION CONTAINS SOME CLEANUP CHANGES NOT
C INCLUDED IN PREVIOUS VERSIONS.
C 04/16/99 - UTHERM: WHEN SETTING 'AIR' COMPOSITION, REMOVE CHECK ON C
C ALSO INSERT WEIGHT WITH MORE FIGURES FOR E-.
C 04/16/99 - THERMO.INP CHANGED SO THAT ALL COEFFICIENTS LISTED IN ORDER:
C -2 -1 0 1 2 3 4 WHETHER ALL COEFFICIENTS EXIST OR NOT.
C 05/26/99 - NEW ATOMIC WEIGHTS IN BLOCKDATA. CARBON NOW 12.0107.
C 06/11/99 - EQLBRM: MANY SMALL CHANGES THAT DO NOT AFFECT CALCULATIONS.
C (CORRECTED 7/16/99)
C 07/01/99 - COMMON INPT AND NEWOF: BRATIO IS REPLACED BY BCHECK WHERE
C BCHECK = (BIGGEST B0I)*.000001 AND USED IN EQN.(3.6A),RP-1311.
C BRATIO AS DESCRIBED IN SEC.3.2 IS USED IN NEWOF ONLY.
C 08/30/99 - CHANGE I/O UNITS FOR INPUT AND OUTPUT FROM 5 & 6 TO 7 & 8.
C 11/05/99 - REWORD '99000 FORM...' IN SEARCH & '99003 FORM...' IN REACT.
C 06/13/00 - INPUT. BYPASS TCEST VARIABLE IN T(I) LOOP. CEA WAS CONVERTING
C VALUE FROM CENTIGRADE TO KELVIN AND ASSIGNING TEMPERATURE.
C 09/15/00 - MAIN. PRINT MESSAGE IF INSERT SPECIES IS NOT FOUND.
C 10/17/00 - CHANGE MAX NUMBER OF ELEMENTS IN A REACTANT FROM 6 TO 12.
C 01/16/01 - EQLBRM: PRINT MESSAGE IF TT DRIVEN DOWN TO < .2*TG(1).
C 01/16/01 - INPUT: HP IN PRINTOUT CORRECTED TO F WHEN UV = T.
C 04/23/01 - TEST FOR THERMO PROPERTY EXTRAPOLATION FOR PURE SPECIES:
C ( TT.GE.TG(1)*.8D0.AND.TT.LE.TG(4)*1.1D0) WHERE TG(1)= 200K.
C 08/06/01 - UTHERM: CORRECT LABELLING FOR CONDENSED REACTANTS.
C 05/30/02 - ROCKET: In "IF ( ipp.LT.Npp ) ipp = ipp-1", change LT to LE
C 06/21/02 - UPDATED FORTRAN
C 08/19/02 - INPUT: DISCONTINUE RUN FOR ILLEGAL EQUIVALENCE RATIO.
C 09/20/02 - REACT: FOR REACTANT TEMPS OUT OF RANGE, PRINT T RANGE.
C 10/18/02 - BLOCKDATA: New atomic weights inc. N=14.0067, S=32.065,...
C 1/17/03 - cea.inc: Change MAXTR from 30 to 40 for large systems.
C 3/31/03 - Declare I/O units 7 & 8 to be IOINP & IOOUT in cea.inc
C 4/03/03 - ROCKET: Added check for assigned ae/at < 1.
C 10/22/03 - OUT2: Plot check on p,s,and g needs check on first 2 letters.
C 11/14/03 - OUT: Add cond...fz and pran...fz to .plt for all problems.
C 11/18/03 - INPUT: If exploded formula, Energy = ' ',not 'lib'.
C 11/25/03 - DETON: Extra line for .plt data with multiple DETON calls.
C 01/30/04 - ROCKET: To correct points printed after fac, change
C IF(ipp.LE.Npp)ipp=ipp-1 to IF(ipp.LT.Npp.OR.Npp.EQ.4) ...
C 02/05/04 - Chg. numbered ENDDO's to CONTINUE's for Watson compiler.
C 05/21/04 - Added labels to columns in .plt file
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*15 ensert(20)
CHARACTER*200 infile,ofile
CHARACTER*196 prefix
LOGICAL caseok,ex,readok
INTEGER i,inc,iof,j,ln,n
INTEGER INDEX
REAL*8 xi,xln
REAL*8 DLOG
SAVE caseok,ensert,ex,i,inc,infile,iof,j,ln,n,ofile,prefix,readok,
& xi,xln
C
WRITE (*,99001)
READ (*,99002) prefix
ln = INDEX(prefix,' ') - 1
infile = prefix(1:ln)//'.inp'
ofile = prefix(1:ln)//'.out'
Pfile = prefix(1:ln)//'.plt'
INQUIRE (FILE=infile,EXIST=ex)
IF ( .NOT.ex ) THEN
PRINT *,infile,' DOES NOT EXIST'
GOTO 400
ENDIF
OPEN (IOINP,FILE=infile,STATUS='old',FORM='formatted')
OPEN (IOOUT,FILE=ofile,STATUS='unknown',FORM='formatted')
OPEN (IOSCH,STATUS='scratch',FORM='unformatted')
OPEN (IOTHM,FILE='thermo.lib',FORM='unformatted')
OPEN (IOTRN,FILE='trans.lib',FORM='unformatted')
WRITE (IOOUT,99006)
WRITE (IOOUT,99007)
WRITE (IOOUT,99006)
readok = .TRUE.
Newr = .FALSE.
100 Iplt = 0
Nplt = 0
CALL INPUT(readok,caseok,ensert)
IF ( caseok.AND.readok ) THEN
DO iof = 1,Nof
IF ( Oxf(iof).EQ.0..AND.B0p(1,1).NE.0. ) THEN
DO i = 1,Nlm
IF ( B0p(i,1).EQ.0..OR.B0p(i,2).EQ.0. ) THEN
WRITE (IOOUT,99008)
GOTO 200
ENDIF
ENDDO
ENDIF
ENDDO
IF ( Ions ) THEN
IF ( Elmt(Nlm).NE.'E' ) THEN
Nlm = Nlm + 1
Elmt(Nlm) = 'E'
B0p(Nlm,1) = 0.
B0p(Nlm,2) = 0.
ENDIF
ELSEIF ( Elmt(Nlm).EQ.'E' ) THEN
Nlm = Nlm - 1
ENDIF
DO n = 1,Nreac
Jray(n) = 0
ENDDO
CALL SEARCH
IF ( Ngc.EQ.0 ) GOTO 300
Newr = .FALSE.
IF ( Trnspt ) CALL READTR
C INITIAL ESTIMATES
Npr = 0
Gonly = .TRUE.
Enn = .1D0
Ennl = -2.3025851
Sumn = Enn
xi = Ng
IF ( xi.EQ.0. ) xi = 1.
xi = Enn/xi
xln = DLOG(xi)
DO inc = 1,Nc
j = Ng + inc
En(j,1) = 0.D0
Enln(j) = 0.D0
ENDDO
DO j = 1,Ng
En(j,1) = xi
Enln(j) = xln
ENDDO
IF ( Nc.NE.0.AND.Nsert.NE.0 ) THEN
DO 120 i = 1,Nsert
DO j = Ngc,Ngp1, - 1
IF ( Prod(j).EQ.ensert(i) ) THEN
Npr = Npr + 1
Jcond(Npr) = j
IF ( .NOT.Short ) WRITE (IOOUT,99003) Prod(j)
GOTO 120
ENDIF
ENDDO
WRITE (IOOUT,99004) ensert(i)
120 CONTINUE
ENDIF
IF ( Rkt ) THEN
CALL ROCKET
ELSEIF ( Tp.OR.Hp.OR.Sp ) THEN
CALL THERMP
ELSEIF ( Detn ) THEN
CALL DETON
ELSEIF ( Shock ) THEN
CALL SHCK
ENDIF
IF ( Nplt.GT.0 ) THEN
OPEN (IOPLT,FILE=Pfile,FORM='formatted')
WRITE (IOPLT,99009) (Pltvar(j),j=1,Nplt)
DO i = 1,Iplt
WRITE (IOPLT,99005) (Pltout(i,j),j=1,Nplt)
ENDDO
WRITE (IOPLT,99009) (Pltvar(j),j=1,Nplt)
ENDIF
ENDIF
200 IF ( readok ) GOTO 100
300 CLOSE (IOINP)
CLOSE (IOOUT)
CLOSE (IOSCH)
CLOSE (IOTHM)
CLOSE (IOTRN)
CLOSE (IOPLT)
400 STOP
99001 FORMAT (//' ENTER INPUT FILE NAME WITHOUT .inp EXTENSION.'/
& ' THE OUTPUT FILES FOR LISTING AND PLOTTING WILL HAVE',/
& ' THE SAME NAME WITH EXTENSIONS .out AND .plt RESPECTIVELY'
& //)
99002 FORMAT (a)
99003 FORMAT (1X,A16,'INSERTED')
99004 FORMAT (/' WARNING!!!',A16,'NOT FOUND FOR INSERTION')
99005 FORMAT (1x,1p,20E12.4)
99006 FORMAT (/' ***************************************************',
& '****************************')
99007 FORMAT (/,9x,'NASA-GLENN CHEMICAL EQUILIBRIUM PROGRAM CEA2,',
& ' MAY 21, 2004',/19x,'BY BONNIE MCBRIDE',
& ' AND SANFORD GORDON',/5x,
& ' REFS: NASA RP-1311, PART I, 1994',
& ' AND NASA RP-1311, PART II, 1996')
99008 FORMAT (/,'OXIDANT NOT PERMITTED WHEN SPECIFYING 100% FUEL(main)')
99009 FORMAT ('#',2x,20A12)
END
BLOCKDATA
C***********************************************************************
C FUNDAMENTAL CONSTANTS FROM: COHEN,E.RICHARD & TAYLOR,BARRY N.,
C THE 1986 CODATA RECOMMENDED VALUES OF THE FUNDAMENTAL PHYSICAL
C CONSTANTS, J.PHYS.CHEM.REF.DATA, VOL.17, NO.4, 1988, PP 1795-1803.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C
DATA Rr/8314.51D0/,Pi/3.14159265D0/,Avgdr/6.0221367D0/,
& Boltz/1.380658D0/
C ATOMIC SYMBOLS
DATA Symbol/'H ','D ','HE','LI','BE','B ','C ','N ','O ','F ',
& 'NE','NA','MG','AL','SI','P ','S ','CL','AR','K ','CA','SC',
& 'TI','V ','CR','MN','FE','CO','NI','CU','ZN','GA','GE','AS',
& 'SE','BR','KR','RB','SR','Y ','ZR','NB','MO','TC','RU','RH',
& 'PD','AG','CD','IN','SN','SB','TE','I ','XE','CS','BA','LA',
& 'CE','PR','ND','PM','SM','EU','GD','TB','DY','HO','ER','TM',
& 'YB','LU','HF','TA','W ','RE','OS','IR','PT','AU','HG','TL',
& 'PB','BI','PO','AT','RN','FR','RA','AC','TH','PA','U ','NP',
& 'PU','AM','CM','BK','CF','ES'/
C
C ATOMIC WEIGHTS - Coplen,T.B., Atomic Weights of the Elements 1999.
C J.Phys.Chem.Ref.Data, vol.30, no.3, 2001, pp.701-712.
C
DATA atmwt/ 1.00794D0,2.014102D0,4.002602D0,6.941D0,
1 9.012182D0,10.811D0,12.0107D0,14.0067D0,15.9994D0,18.9984032D0,
2 20.1797D0,22.989770D0,24.305D0,26.981538D0,28.0855D0,30.973761D0,
3 32.065D0,35.453D0,39.948D0,39.0983D0,40.078D0,44.95591D0,
4 47.867D0, 50.9415D0,51.9961D0,54.938049D0,
5 55.845D0,58.933200D0,58.6934D0,63.546D0,65.39D0,69.723D0,72.64D0,
6 74.92160D0,78.96D0,79.904D0,83.80D0,85.4678D0,87.62D0,88.90585D0,
7 91.224D0,92.90638D0,95.94D0,97.9072D0,101.07D0,102.9055D0,
$ 106.42D0,
8 107.8682D0,112.411D0,114.818D0,118.710D0, 121.760D0,127.6D0,
9 126.90447D0,131.293D0,132.90545D0,137.327D0,138.9055D0,140.116D0,
$ 140.90765D0,144.9127D0,145.D0,150.36D0,151.964D0,157.25D0,
$ 158.92534D0,
$ 162.50D0,164.93032D0,167.259D0,168.93421D0,173.04D0,174.967D0,
$ 178.49D0,180.9479D0,183.84D0,186.207D0,190.23D0,192.217D0,
$ 195.078D0,196.96655D0,200.59D0,204.3833D0,207.2D0,208.98038D0,
$ 208.9824D0, 209.9871D0,
$ 222.0176D0,223.0197D0,226.0254D0,227.0278D0,232.0381D0,
$ 231.03588D0,238.02891D0,237.0482D0,244.0642D0,243.0614D0,
$ 247.0703D0,247.0703D0,251.0587D0,252.083D0/
C ATOMIC VALENCES
DATA Valnce/1.,1.,0.,1.,2.,3.,4.,0., - 2., - 1.,0.,1.,2.,3.,4.,5.,
& 4., - 1.,0.,1.,2.,3.,4.,5.,3.,2.,3.,2.,2.,2.,2.,3.,4.,3.,4.,
& - 1.,0.,1.,2.,3.,4.,5.,6.,7.,3.,3.,2.,1.,2.,3.,4.,3.,4.,
& - 1.,0.,1.,2.,3.,3.,3.,3.,3.,3.,3.,3.,3.,3.,3.,3.,3.,3.,3.,
& 4.,5.,6.,7.,4.,4.,4.,3.,2.,1.,2.,3.,2., - 1.,0.,1.,2.,3.,4.,
& 5.,6.,5.,4.,3.,3.,3.,3.,3./
C INFORMATION USED IN VARIABLE OUTPUT FORMAT
DATA Fmt/'(1X',',A15',',','F9.','0,','F9.','0,','F9.','0,','F9.',
& '0,','F9.','0,','F9.','0,','F9.','0,','F9.','0,','F9.','0,',
& 'F9.','0,','F9.','0,','F9.','0,','F9.','0',')'/
END
SUBROUTINE CPHS
C***********************************************************************
C CALCULATES THERMODYNAMIC PROPERTIES FOR INDIVIDUAL SPECIES
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
REAL*8 cx(7),hcx(7),scx(7)
INTEGER i,ij,j,jj,k
SAVE i,ij,j,jj,k,scx
C
DATA cx/2*0.,1.D0,.5D0,.6666666666666667D0,.75D0,.8D0/
DATA hcx(3)/1.D0/
k = 1
IF ( Tt.GT.Tg(2) ) k = 2
IF ( Tt.GT.Tg(3) ) k = 3
cx(2) = 1.D0/Tt
cx(1) = cx(2)**2
scx(3) = Tln
scx(2) = -cx(2)
hcx(2) = Tln*cx(2)
hcx(1) = -cx(1)
scx(1) = hcx(1)*.5D0
DO i = 4,7
hcx(i) = cx(i)*Tt
scx(i) = cx(i-1)*Tt
ENDDO
DO j = 1,Ng
H0(j) = 0.D0
S(j) = 0.D0
ENDDO
DO i = 7,4, - 1
DO j = 1,Ng
S(j) = (S(j)+Coef(j,i,k))*scx(i)
H0(j) = (H0(j)+Coef(j,i,k))*hcx(i)
ENDDO
ENDDO
DO i = 1,3
DO j = 1,Ng
S(j) = S(j) + Coef(j,i,k)*scx(i)
H0(j) = H0(j) + Coef(j,i,k)*hcx(i)
ENDDO
ENDDO
DO j = 1,Ng
S(j) = S(j) + Coef(j,9,k)
H0(j) = H0(j) + Coef(j,8,k)*cx(2)
ENDDO
IF ( .NOT.Tp.OR.Convg ) THEN
DO j = 1,Ng
Cp(j) = 0.D0
ENDDO
DO i = 7,4, - 1
DO j = 1,Ng
Cp(j) = (Cp(j)+Coef(j,i,k))*Tt
ENDDO
ENDDO
DO i = 1,3
DO j = 1,Ng
Cp(j) = Cp(j) + Coef(j,i,k)*cx(i)
ENDDO
ENDDO
ENDIF
IF ( Npr.NE.0.AND.k.NE.3.AND.Ng.NE.Ngc ) THEN
DO ij = 1,Npr
j = Jcond(ij)
jj = Jcond(ij) - Ng
Cp(j) = 0.D0
H0(j) = 0.D0
S(j) = 0.D0
DO i = 7,4, - 1
S(j) = (S(j)+Cft(jj,i))*scx(i)
H0(j) = (H0(j)+Cft(jj,i))*hcx(i)
Cp(j) = (Cp(j)+Cft(jj,i))*Tt
ENDDO
DO i = 1,3
S(j) = S(j) + Cft(jj,i)*scx(i)
H0(j) = H0(j) + Cft(jj,i)*hcx(i)
Cp(j) = Cp(j) + Cft(jj,i)*cx(i)
ENDDO
S(j) = S(j) + Cft(jj,9)
H0(j) = H0(j) + Cft(jj,8)*cx(2)
ENDDO
ENDIF
GOTO 99999
ENTRY ALLCON
DO jj = 1,Nc
j = jj + Ng
Cp(j) = 0.D0
H0(j) = 0.D0
S(j) = 0.D0
DO i = 7,4, - 1
S(j) = (S(j)+Cft(jj,i))*scx(i)
H0(j) = (H0(j)+Cft(jj,i))*hcx(i)
Cp(j) = (Cp(j)+Cft(jj,i))*Tt
ENDDO
DO i = 1,3
S(j) = S(j) + Cft(jj,i)*scx(i)
H0(j) = H0(j) + Cft(jj,i)*hcx(i)
Cp(j) = Cp(j) + Cft(jj,i)*cx(i)
ENDDO
S(j) = S(j) + Cft(jj,9)
H0(j) = H0(j) + Cft(jj,8)*cx(2)
ENDDO
99999 END
SUBROUTINE DETON
C***********************************************************************
C CHAPMAN-JOUGUET DETONATIONS.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*15 fdv,fg1,fh1,fhs1,fm1,fmm1,fpp1,frr1,ft1,ftt1
CHARACTER*3 unit
INTEGER i,ii,iof,itr,j,mdv,mgam,mh,mmach,mp,mson,mt,mxx(8)
INTEGER INDEX
REAL*8 a11,a12,a21,a22,alam,alfa,amm,b1,b2,cpl(NCOL),d,gam,
& gm1(NCOL),h1(NCOL),p1,pp1,pub(NCOL),rk,rr1,rrho(NCOL),t1,
& tem,tt1,tub(NCOL),ud,x1,x2
SAVE a11,a12,a21,a22,alam,alfa,amm,b1,b2,cpl,d,gam,gm1,h1,i,ii,
& iof,itr,j,mdv,mgam,mh,mmach,mp,mson,mt,mxx,p1,pp1,pub,rk,rr1,
& rrho,t1,tem,tt1,tub,ud,unit,x1,x2
C
EQUIVALENCE (mxx(1),mp)
EQUIVALENCE (mxx(2),mt)
EQUIVALENCE (mxx(3),mgam)
EQUIVALENCE (mxx(4),mh)
EQUIVALENCE (mxx(5),mdv)
EQUIVALENCE (mxx(6),mson)
EQUIVALENCE (mxx(7),mmach)
DATA ft1/'T1, K'/,fh1/'H1, CAL/G'/,fhs1/'H1, KJ/KG'/,
& fm1/'M1, (1/n) '/,fg1/'GAMMA1'/,fpp1/'P/P1'/,ftt1/'T/T1'/,
& fmm1/'M/M1'/,frr1/'RHO/RHO1'/,fdv/'DET VEL,M/SEC'/
iof = 0
Eql = .TRUE.
IF ( T(1).EQ.0. ) THEN
T(1) = Rtemp(1)
Nt = 1
ENDIF
100 Tt = T(1)
iof = iof + 1
Oxfl = Oxf(iof)
CALL NEWOF
C BEGIN T LOOP.
DO It = 1,Nt
t1 = T(It)
C BEGIN P LOOP.
DO Ip = 1,Np
p1 = P(Ip)
Tt = t1
Pp = p1
CALL HCALC
IF ( Tt.EQ.0. ) RETURN
IF ( Detdbg ) CALL OUT1
h1(Npt) = Hsub0*R
tub(Npt) = t1
pub(Npt) = p1
cpl(Npt) = Cpmix*R
itr = 0
Tt = 3800.
pp1 = 15.
Pp = pp1*p1
C CALCULATE ENTHALPY FOR INITIAL ESTIMATE OF T2(TT AFTER EQLBRM)
Hsub0 = h1(Npt)/R + .75*t1*pp1/Wmix
Tp = .FALSE.
Hp = .TRUE.
CALL EQLBRM
Hsub0 = h1(Npt)/R
Hp = .FALSE.
IF ( Tt.NE.0. ) THEN
gam = Gammas(Npt)
tt1 = Tt/t1
ii = 0
tem = tt1 - .75*pp1/(Cpr(Npt)*Wmix)
amm = Wm(Npt)/Wmix
IF ( Detdbg ) WRITE (IOOUT,99001) Tt
C LOOP FOR IMPROVING T2/T1 AND P2/P1 INITIAL ESTIMATE.
DO ii = 1,3
alfa = amm/tt1
pp1 = (1.+gam)*(1.+(1.-4.*gam*alfa/(1.+gam)**2)**.5)
& /(2.*gam*alfa)
rk = pp1*alfa
tt1 = tem + .5*pp1*gam*(rk*rk-1.)/(Wmix*Cpr(Npt)*rk)
IF ( Detdbg ) WRITE (IOOUT,99002) ii,pp1,tt1
ENDDO
Tp = .TRUE.
Tt = t1*tt1
rr1 = pp1*amm/tt1
C BEGIN MAIN ITERATION LOOP.
110 itr = itr + 1
Pp = p1*pp1
CALL EQLBRM
IF ( Npt.EQ.0 ) GOTO 200
IF ( Tt.NE.0. ) THEN
gam = Gammas(Npt)
amm = Wm(Npt)/Wmix
rr1 = pp1*amm/tt1
a11 = 1./pp1 + gam*rr1*Dlvpt(Npt)
a12 = gam*rr1*Dlvtp(Npt)
a21 = .5*gam*(rr1**2-1.-Dlvpt(Npt)*(1.+rr1**2))
& + Dlvtp(Npt) - 1.
a22 = -.5*gam*Dlvtp(Npt)*(rr1**2+1.) - Wm(Npt)*Cpr(Npt)
b1 = 1./pp1 - 1. + gam*(rr1-1.)
b2 = Wm(Npt)*(Hsum(Npt)-h1(Npt)/R)
& /Tt - .5*gam*(rr1*rr1-1.)
d = a11*a22 - a12*a21
x1 = (a22*b1-a12*b2)/d
x2 = (a11*b2-a21*b1)/d
alam = 1.
tem = x1
IF ( tem.LT.0. ) tem = -tem
IF ( x2.GT.tem ) tem = x2
IF ( -x2.GT.tem ) tem = -x2
IF ( tem.GT.0.4054652 ) alam = .4054652/tem
pp1 = pp1*EXP(x1*alam)
tt1 = tt1*EXP(x2*alam)
Tt = t1*tt1
ud = rr1*(Rr*gam*Tt/Wm(Npt))**.5
IF ( Detdbg ) WRITE (IOOUT,99003) itr,pp1,tt1,rr1,x1,x2
C CONVERGENCE TEST
IF ( itr.LT.8.AND.tem.GT.0.5E-04 ) GOTO 110
IF ( itr.LT.8 ) THEN
rrho(Npt) = rr1
IF ( cpl(Npt).EQ.0. ) THEN
gm1(Npt) = 0.
Vmoc(Npt) = 0.
ELSE
gm1(Npt) = cpl(Npt)/(cpl(Npt)-R/Wmix)
Vmoc(Npt) = ud/(Rr*gm1(Npt)*t1/Wmix)**.5
ENDIF
ELSE
WRITE (IOOUT,99004)
Npt = Npt - 1
Tt = 0.
ENDIF
IF ( Trnspt ) CALL TRANP
Isv = 0
IF ( Ip.NE.Np.OR.It.NE.Nt.AND.Tt.NE.0. ) THEN
Isv = Npt
IF ( Npt.NE.NCOL ) GOTO 120
ENDIF
ENDIF
C OUTPUT
WRITE (IOOUT,99005)
CALL OUT1
C SET MXX ARRAY FOR PLOTTING PARAMETERS
DO i = 1,8
mxx(i) = 0
ENDDO
DO i = 1,Nplt
IF ( INDEX(Pltvar(i)(2:),'1').NE.0 ) THEN
IF ( Pltvar(i)(:3).EQ.'son' ) THEN
mson = i
ELSEIF ( Pltvar(i)(:3).EQ.'gam' ) THEN
mgam = i
ELSEIF ( Pltvar(i)(:1).EQ.'h' ) THEN
mh = i
ELSEIF ( Pltvar(i)(:1).EQ.'t' ) THEN
mt = i
ELSEIF ( Pltvar(i)(:1).EQ.'p' ) THEN
mp = i
ENDIF
ELSEIF ( INDEX(Pltvar(i),'vel').NE.0 ) THEN
mdv = i
ELSEIF ( INDEX(Pltvar(i),'mach').NE.0 ) THEN
mmach = i
ENDIF
ENDDO
WRITE (IOOUT,99006)
Fmt(4) = '13'
Fmt(5) = ' '
Fmt(7) = '4,'
DO i = 1,Npt
IF ( Siunit ) THEN
V(i) = pub(i)
unit = 'BAR'
ELSE
V(i) = pub(i)/1.01325D0
unit = 'ATM'
ENDIF
IF ( mp.GT.0 ) Pltout(i+Iplt,mp) = V(i)
ENDDO
WRITE (IOOUT,Fmt) 'P1, '//unit//' ',(V(j),j=1,Npt)
Fmt(7) = '2,'
WRITE (IOOUT,Fmt) ft1,(tub(j),j=1,Npt)
IF ( .NOT.Siunit ) WRITE (IOOUT,Fmt) fh1,(h1(j),j=1,Npt)
IF ( Siunit ) WRITE (IOOUT,Fmt) fhs1,(h1(j),j=1,Npt)
DO i = 1,Npt
V(i) = Wmix
Sonvel(i) = (Rr*gm1(i)*tub(i)/Wmix)**.5
ENDDO
Fmt(7) = '3,'
WRITE (IOOUT,Fmt) fm1,(V(j),j=1,Npt)
Fmt(7) = '4,'
WRITE (IOOUT,Fmt) fg1,(gm1(j),j=1,Npt)
Fmt(7) = '1,'
WRITE (IOOUT,Fmt) 'SON VEL1,M/SEC ',(Sonvel(j),j=1,Npt)
IF ( Nplt.GT.0 ) THEN
DO i = 1,Npt
IF ( mt.GT.0 ) Pltout(i+Iplt,mt) = tub(i)
IF ( mgam.GT.0 ) Pltout(i+Iplt,mgam) = gm1(i)
IF ( mh.GT.0 ) Pltout(i+Iplt,mh) = h1(i)
IF ( mson.GT.0 ) Pltout(i+Iplt,mson) = Sonvel(i)
ENDDO
ENDIF
WRITE (IOOUT,99007)
Fmt(4) = Fmt(6)
CALL OUT2
IF ( Trnspt ) CALL OUT4
WRITE (IOOUT,99008)
Fmt(7) = '3,'
DO i = 1,Npt
V(i) = Ppp(i)/pub(i)
Pcp(i) = Ttt(i)/tub(i)
Sonvel(i) = Sonvel(i)*rrho(i)
IF ( mmach.GT.0 ) Pltout(i+Iplt,mmach) = Vmoc(i)
IF ( mdv.GT.0 ) Pltout(i+Iplt,mdv) = Sonvel(i)
ENDDO
WRITE (IOOUT,Fmt) fpp1,(V(j),j=1,Npt)
WRITE (IOOUT,Fmt) ftt1,(Pcp(j),j=1,Npt)
DO i = 1,Npt
V(i) = Wm(i)/Wmix
ENDDO
Fmt(7) = '4,'
WRITE (IOOUT,Fmt) fmm1,(V(j),j=1,Npt)
WRITE (IOOUT,Fmt) frr1,(rrho(j),j=1,Npt)
WRITE (IOOUT,Fmt) 'DET MACH NUMBER',(Vmoc(j),j=1,Npt)
Fmt(7) = '1,'
WRITE (IOOUT,Fmt) fdv,(Sonvel(j),j=1,Npt)
Eql = .TRUE.
CALL OUT3
Iplt = MIN(Iplt+Npt,500)
IF ( Isv.EQ.0.AND.iof.EQ.Nof ) GOTO 200
IF ( Np.EQ.1.AND.Nt.EQ.1 ) GOTO 100
WRITE (IOOUT,99009)
Npt = 0
120 Npt = Npt + 1
IF ( Isv.EQ.1 ) Isv = -1
CALL SETEN
ENDIF
ENDDO
ENDDO
c Iplt = MIN(Iplt+Npt,500)
Iplt = MIN(Iplt+Npt-1,500)
IF ( iof.LT.Nof ) GOTO 100
200 Tp = .FALSE.
RETURN
99001 FORMAT (/' T EST.=',F8.2/11X,'P/P1',17X,'T/T1')
99002 FORMAT (I5,2E20.8)
99003 FORMAT (/' ITER =',I2,5X,'P/P1 =',E15.8,/7X,'T/T1 =',E15.8,5X,
& 'RHO/RHO1 =',E15.8,/7X,'DEL LN P/P1 =',E15.8,5X,
& 'DEL LN T/T1 =',E15.8)
99004 FORMAT (/
& ' CONSERVATION EQNS NOT SATISFIED IN 8 ITERATIONS (DETON)'
& )
99005 FORMAT (//,21X,'DETONATION PROPERTIES OF AN IDEAL REACTING GAS')
99006 FORMAT (/' UNBURNED GAS'/)
99007 FORMAT (/' BURNED GAS'/)
99008 FORMAT (/' DETONATION PARAMETERS'/)
99009 FORMAT (///)
END
SUBROUTINE EFMT(Fone,Aa,Vx)
C***********************************************************************
C WRITE OUTPUT RECORD WITH NUMERICAL VALUES IN SPECIAL EXPONENT FORM.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C DUMMY ARGUMENTS
CHARACTER*15 Aa
CHARACTER*4 Fone
REAL*8 Vx(MAXMAT)
C LOCAL VARIABLES
CHARACTER*4 fmix(5),frmt(8)
INTEGER i,j,j1,ne(NCOL)
INTEGER IABS
REAL*8 ee,fe,w(NCOL)
REAL*8 DABS,DLOG10
SAVE ee,fe,i,j,j1,ne,w
C
DATA frmt/'(1H ',',A15',',','9X,','13(F','6.4,','I2,','1X))'/
DATA fmix/'I3,','6.4,','I2,','9X,','5.3,'/
frmt(6) = fmix(2)
frmt(7) = fmix(3)
j1 = 1
frmt(4) = '1x,'
IF ( Fone.EQ.'9X,' ) THEN
j1 = 2
frmt(4) = fmix(4)
ENDIF
DO i = j1,Npt
IF ( Vx(i).NE.0. ) THEN
ee = DLOG10(DABS(Vx(i)))
ne(i) = ee
fe = ne(i)
IF ( ee.LT.-.2181E-05.AND.fe.NE.ee ) ne(i) = ne(i) - 1
IF ( IABS(ne(i)).GE.10 ) THEN
frmt(6) = fmix(5)
frmt(7) = fmix(1)
ENDIF
w(i) = Vx(i)/10.**ne(i)
ELSE
w(i) = 0.
ne(i) = 0.
ENDIF
ENDDO
WRITE (IOOUT,frmt) Aa,(w(j),ne(j),j=j1,Npt)
END
SUBROUTINE EQLBRM
C***********************************************************************
C CALCULATE EQUILIBRIUM COMPOSITION AND PROPERTIES.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*12 ae,cmp(MAXEL)
CHARACTER*16 amb
LOGICAL cpcalc,i2many,newcom,reduce
INTEGER i,il,ilamb,ilamb1,inc,ipr,iq2,iter,ix,ixsing,iz,j,ja,jb,
& jbx,jc,jcondi,jcons,jdelg,jex,jj,jkg,jneg,jsw,k,kc,kg,kk,
& kmat,kneg,l,lc,lcs(MAXEL),le,lelim,lk,ll,lncvg,ls,lsing,
& lz,maxitn,ncvg,njc,nn,numb
INTEGER IABS
REAL*8 aa,ambda,ambda1,bigen,bigneg,delg,dlnt,dpie,ensol,esize,
& gap,gasfrc,pie,pisave(MAXMAT-2),siz9,sizeg,smalno,smnol,
& sum,sum1,szgj,tem,tmelt,tsize,ween,xi,xln,xsize,xx(MAXMAT)
REAL*8 DABS,DEXP,DLOG,DMAX1
SAVE aa,ae,amb,ambda,ambda1,bigen,bigneg,cmp,cpcalc,delg,dlnt,
& dpie,ensol,esize,gap,gasfrc,i,i2many,il,ilamb,ilamb1,inc,ipr,
& iq2,iter,ix,ixsing,iz,j,ja,jb,jbx,jc,jcondi,jcons,jdelg,jex,jj,
& jkg,jneg,jsw,k,kc,kg,kk,kmat,kneg,l,lc,lcs,le,lelim,lk,ll,lncvg,
& ls,lsing,lz,maxitn,ncvg,newcom,njc,nn,numb,pie,pisave,reduce,
& siz9,sizeg,sum,sum1,szgj,tem,tmelt,tsize,ween,xi,xln,xsize,xx
C
DATA smalno/1.E-6/,smnol/ - 13.815511/
ixsing = 0
lsing = 0
jsw = 0
jdelg = 0
maxitn = 50
ncvg = 0
lncvg = 3*Nlm
reduce = .FALSE.
siz9 = Size - 9.2103404D0
tsize = Size
xsize = Size + 6.90775528D0
IF ( Trace.NE.0. ) THEN
maxitn = maxitn + Ngc/2
xsize = -DLOG(Trace)
IF ( xsize.LT.Size ) xsize = Size + .1
ENDIF
IF ( xsize.GT.80. ) xsize = 80.D0
esize = MIN(80.D0,xsize+6.90775528D0)
jcons = 0
pie = 0.
i2many = .FALSE.
Pderiv = .FALSE.
Convg = .FALSE.
numb = 0
cpcalc = .TRUE.
IF ( Tp ) cpcalc = .FALSE.
IF ( Tt.NE.0.D0 ) THEN
IF ( Npr.EQ.0.OR.(Tt.NE.T(1).AND..NOT.Tp) ) GOTO 400
k = 1
ELSE
Tt = 3800.D0
IF ( Npr.EQ.0 ) GOTO 400
k = 1
ENDIF
100 j = Jcond(k)
jc = j - Ng
kg = -Ifz(jc)
DO i = 1,9
kg = kg + 1
kc = jc + kg
IF ( Tt.LE.Temp(2,kc) ) THEN
IF ( kg.NE.0 ) THEN
Jcond(k) = j + kg
En(j+kg,Npt) = En(j,Npt)
En(j,Npt) = 0.
IF ( Prod(j).NE.Prod(j+kg).AND..NOT.Short )
& WRITE (IOOUT,99023) Prod(j),Prod(j+kg)
ENDIF
GOTO 300
ELSEIF ( kc.GE.Nc.OR.Ifz(kc+1).LE.Ifz(kc) ) THEN
GOTO 200
ENDIF
ENDDO
200 IF ( .NOT.Tp ) THEN
Tt = Temp(2,kc) - 10.D0
k = 1
GOTO 100
ENDIF
WRITE (IOOUT,99028) Prod(j)
En(j,Npt) = 0.D0
Enln(j) = 0.D0
Deln(j) = 0.D0
DO i = k,Npr
Jcond(i) = Jcond(i+1)
ENDDO
Npr = Npr - 1
300 k = k + 1
IF ( k.LE.Npr ) GOTO 100
400 Tln = DLOG(Tt)
IF ( Vol ) Pp = Rr*Enn*Tt/Vv
CALL CPHS
Tm = DLOG(Pp/Enn)
le = Nlm
IF ( Lsave.NE.0.AND.Nlm.NE.Lsave ) THEN
tem = EXP(-tsize)
DO i = Lsave + 1,Nlm
DO j = 1,Ng
IF ( A(i,j).NE.0. ) THEN
En(j,Npt) = tem
Enln(j) = -tsize
ENDIF
ENDDO
ENDDO
ENDIF
ls = Nlm
lelim = 0
lz = ls
IF ( Ions ) lz = ls - 1
IF ( Npt.EQ.1.AND..NOT.Shock.AND..NOT.Short ) WRITE (IOOUT,99001)
& (Elmt(i),i=1,Nlm)
IF ( Debug(Npt) ) THEN
DO i = 1,Nlm
cmp(i) = Elmt(i)
ENDDO
ENDIF
C BEGIN ITERATION
500 IF ( cpcalc ) THEN
Cpsum = 0.D0
DO j = 1,Ng
Cpsum = Cpsum + En(j,Npt)*Cp(j)
ENDDO
IF ( Npr.NE.0 ) THEN
DO k = 1,Npr
j = Jcond(k)
Cpsum = Cpsum + En(j,Npt)*Cp(j)
ENDDO
cpcalc = .FALSE.
ENDIF
ENDIF
numb = numb + 1
CALL MATRIX
iq2 = Iq1 + 1
IF ( Convg ) Imat = Imat - 1
IF ( Debug(Npt) ) THEN
IF ( .NOT.Convg ) THEN
WRITE (IOOUT,99004) numb
ELSE
IF ( .NOT.Pderiv ) WRITE (IOOUT,99002)
IF ( Pderiv ) WRITE (IOOUT,99003)
ENDIF
kmat = Imat + 1
DO i = 1,Imat
WRITE (IOOUT,99006) (G(i,k),k=1,kmat)
ENDDO
ENDIF
Msing = 0
CALL GAUSS
IF ( Msing.EQ.0 ) THEN
IF ( Debug(Npt) ) THEN
WRITE (IOOUT,99005) (cmp(k),k=1,le)
WRITE (IOOUT,99006) (X(i),i=1,Imat)
ENDIF
IF ( .NOT.Convg ) THEN
C OBTAIN CORRECTIONS TO THE ESTIMATES
IF ( Vol ) X(iq2) = X(Iq1)
IF ( Tp ) X(iq2) = 0.
dlnt = X(iq2)
sum = X(Iq1)
IF ( Vol ) THEN
X(Iq1) = 0.
sum = -dlnt
ENDIF
DO 520 j = 1,Ng
IF ( lelim.NE.0 ) THEN
Deln(j) = 0.
DO i = lelim,ls
IF ( A(i,j).NE.0. ) GOTO 520
ENDDO
ENDIF
Deln(j) = -Mu(j) + H0(j)*dlnt + sum
DO k = 1,Nlm
Deln(j) = Deln(j) + A(k,j)*X(k)
ENDDO
IF ( pie.NE.0. ) Deln(j) = Deln(j) + A(ls,j)*pie
520 CONTINUE
IF ( Npr.NE.0 ) THEN
DO k = 1,Npr
j = Jcond(k)
kk = Nlm + k
Deln(j) = X(kk)
ENDDO
ENDIF
C CALCULATE CONTROL FACTOR,AMBDA
ambda = 1.D0
ambda1 = 1.D0
ilamb = 0
ilamb1 = 0
sum = DMAX1(DABS(X(Iq1)),DABS(dlnt))
sum = sum*5.
DO j = 1,Ng
IF ( Deln(j).GT.0. ) THEN
IF ( (Enln(j)-Ennl+Size).LE.0. ) THEN
sum1 = DABS(Deln(j)-X(Iq1))
IF ( sum1.GE.siz9 ) THEN
sum1 = DABS(-9.2103404D0-Enln(j)+Ennl)/sum1
IF ( sum1.LT.ambda1 ) THEN
ambda1 = sum1
ilamb1 = j
ENDIF
ENDIF
ELSEIF ( Deln(j).GT.sum ) THEN
sum = Deln(j)
ilamb = j
ENDIF
ENDIF
ENDDO
IF ( sum.GT.2.D0 ) ambda = 2.D0/sum
IF ( ambda1.LE.ambda ) THEN
ambda = ambda1
ilamb = ilamb1
ENDIF
IF ( Debug(Npt) ) THEN
C INTERMEDIATE OUTPUT
WRITE (IOOUT,99011) Tt,Enn,Ennl,Pp,Tm,ambda
IF ( ambda.NE.1.D0 ) THEN
amb = 'ENN'
IF ( DABS(X(iq2)).GT.DABS(X(Iq1)) ) amb = 'TEMP'
IF ( ilamb.NE.0 ) amb = Prod(ilamb)
WRITE (IOOUT,99012) amb
ENDIF
IF ( Vol ) WRITE (IOOUT,99013) Vv*.001D0
WRITE (IOOUT,99014)
DO j = 1,Ngc
WRITE (IOOUT,99015) Prod(j),En(j,Npt),Enln(j),Deln(j),
& H0(j),S(j),H0(j) - S(j),Mu(j)
ENDDO
ENDIF
C APPLY CORRECTIONS TO ESTIMATES
Totn(Npt) = 0.D0
DO j = 1,Ng
Enln(j) = Enln(j) + ambda*Deln(j)
ENDDO
DO 540 j = 1,Ng
En(j,Npt) = 0.
IF ( lelim.NE.0 ) THEN
DO i = lelim,ls
IF ( A(i,j).NE.0. ) GOTO 540
ENDDO
ENDIF
IF ( (Enln(j)-Ennl+tsize).GT.0. ) THEN
En(j,Npt) = DEXP(Enln(j))
Totn(Npt) = Totn(Npt) + En(j,Npt)
ENDIF
540 CONTINUE
IF ( Ions.AND.Elmt(Nlm).EQ.'E' ) THEN
DO j = 1,Ng
IF ( A(ls,j).NE.0..AND.En(j,Npt).EQ.0. ) THEN
IF ( (Enln(j)-Ennl+esize).GT.0. ) THEN
En(j,Npt) = DEXP(Enln(j))
Totn(Npt) = Totn(Npt) + En(j,Npt)
ENDIF
ENDIF
ENDDO
ENDIF
Sumn = Totn(Npt)
IF ( Npr.NE.0 ) THEN
DO k = 1,Npr
j = Jcond(k)
En(j,Npt) = En(j,Npt) + ambda*Deln(j)
Totn(Npt) = Totn(Npt) + En(j,Npt)
ENDDO
ENDIF
IF ( .NOT.Tp ) THEN
Tln = Tln + ambda*dlnt
Tt = DEXP(Tln)
cpcalc = .TRUE.
CALL CPHS
ENDIF
IF ( Vol ) THEN
Enn = Sumn
Ennl = DLOG(Enn)
IF ( Vol ) Pp = Rr*Tt*Enn/Vv
ELSE
Ennl = Ennl + ambda*X(Iq1)
Enn = DEXP(Ennl)
ENDIF
Tm = DLOG(Pp/Enn)
IF ( Elmt(Nlm).EQ.'E' ) THEN
C CHECK ON REMOVING IONS
DO j = 1,Ngc
IF ( A(Nlm,j).NE.0. ) THEN
IF ( En(j,Npt).GT.0. ) GOTO 560
ENDIF
ENDDO
pie = X(Nlm)
lelim = Nlm
Nlm = Nlm - 1
GOTO 500
ENDIF
C TEST FOR CONVERGENCE
560 IF ( numb.GT.maxitn ) THEN
WRITE (IOOUT,99019) maxitn,Npt
IF ( Nc.EQ.0.OR.i2many ) GOTO 1500
i2many = .TRUE.
IF ( .NOT.Hp.OR.Npt.NE.1.OR.Tt.GT.100. ) THEN
IF ( Npr.NE.1.OR.Enn.GT.1.E-4 ) GOTO 1500
C HIGH TEMPERATURE, INCLUDED CONDENSED CONDITION
WRITE (IOOUT,99020)
Enn = .1
Ennl = -2.3025851
Sumn = Enn
xi = Ng
xi = Enn/xi
xln = DLOG(xi)
DO j = 1,Ng
En(j,Npt) = xi
Enln(j) = xln
ENDDO
j = Jcond(1)
k = 1
GOTO 1000
ELSE
WRITE (IOOUT,99008)
GOTO 1500
ENDIF
ELSE
sum = (X(Iq1)*Enn/Totn(Npt))
IF ( DABS(sum).GT.0.5E-5 ) GOTO 500
DO j = 1,Ng
IF ( DABS(Deln(j))*En(j,Npt)/Totn(Npt).GT.0.5D-5 )
& GOTO 500
ENDDO
IF ( DABS(dlnt).GT.1.D-04 ) GOTO 500
IF ( Npr.NE.0 ) THEN
DO k = 1,Npr
j = Jcond(k)
IF ( DABS(Deln(j)/Totn(Npt)).GT.0.5D-5 ) GOTO 500
IF ( En(j,Npt).LT.0. ) GOTO 700
ENDDO
ENDIF
le = Nlm
DO i = 1,Nlm
IF ( DABS(B0(i)).GE.1.D-06 ) THEN
sum = 0.
DO j = 1,Ngc
sum = sum + En(j,Npt)*A(i,j)
ENDDO
IF ( DABS(B0(i)-sum).GT.Bcheck ) GOTO 500
ENDIF
ENDDO
IF ( Trace.NE.0. ) THEN
tsize = xsize
tem = 1.
IF ( numb.NE.1 ) THEN
lk = lz
IF ( Nlm.LT.lz ) lk = Nlm
DO i = 1,lk
IF ( i.NE.lsing ) THEN
tem = 0.
IF ( X(i).NE.0. ) THEN
tem = DABS((pisave(i)-X(i))/X(i))
IF ( tem.GT..001 ) GOTO 565
ENDIF
ENDIF
ENDDO
ENDIF
565 DO i = 1,Nlm
pisave(i) = X(i)
ENDDO
IF ( tem.GT..001 ) GOTO 500
IF ( Ions ) THEN
C CHECK ON ELECTRON BALANCE
iter = 1
IF ( pie.NE.0. ) THEN
le = Nlm + 1
X(le) = pie
ENDIF
566 sum1 = 0.
sum = 0.
pie = X(le)
DO j = 1,Ng
IF ( A(ls,j).NE.0. ) THEN
En(j,Npt) = 0.
tem = 0.
IF ( Enln(j).GT.-87. ) tem = DEXP(Enln(j))
IF ( (Enln(j)-Ennl+tsize).GT.0..AND.Elmt(Nlm)
& .EQ.'E' ) THEN
pie = 0.
En(j,Npt) = tem
ENDIF
aa = A(ls,j)*tem
sum = sum + aa
sum1 = sum1 + aa*A(ls,j)
ENDIF
ENDDO
IF ( sum1.NE.0. ) THEN
dpie = -sum/sum1
DO j = 1,Ng
IF ( A(ls,j).NE.0. ) Enln(j) = Enln(j) + A(ls,j)
& *dpie
ENDDO
IF ( Debug(Npt) ) WRITE (IOOUT,99016) iter,dpie
IF ( DABS(dpie).GT..0001 ) THEN
X(le) = X(le) + dpie
iter = iter + 1
IF ( iter.LE.80 ) GOTO 566
WRITE (IOOUT,99017)
GOTO 1500
ELSEIF ( Elmt(Nlm).EQ.'E'.AND.pie.NE.0. ) THEN
Nlm = Nlm - 1
newcom = .TRUE.
ENDIF
ENDIF
ENDIF
ENDIF
ENDIF
ELSEIF ( .NOT.Pderiv ) THEN
C TEMPERATURE DERIVATIVES--CONVG=T, PDERIV=F
Dlvtp(Npt) = 1. - X(Iq1)
Cpr(Npt) = G(iq2,iq2)
DO j = 1,Iq1
Cpr(Npt) = Cpr(Npt) - G(iq2,j)*X(j)
ENDDO
C PRESSURE DERIVATIVE--CONVG=T, PDERIV=T
Pderiv = .TRUE.
GOTO 500
ELSE
Dlvpt(Npt) = -1. + X(Iq1)
IF ( Jliq.EQ.0 ) THEN
Gammas(Npt) = -1./(Dlvpt(Npt)+(Dlvtp(Npt)**2)*Enn/Cpr(Npt))
ELSE
En(Jsol,Npt) = ensol
Hsum(Npt) = Hsum(Npt) + En(Jliq,Npt)*(H0(Jliq)-H0(Jsol))
Gammas(Npt) = -1./Dlvpt(Npt)
Npr = Npr + 1
Jcond(Npr) = Jliq
ENDIF
GOTO 1400
ENDIF
C SINGULAR MATRIX
ELSE
IF ( Convg ) THEN
WRITE (IOOUT,99007)
Dlvpt(Npt) = -1.
Dlvtp(Npt) = 1.
Cpr(Npt) = Cpsum
Gammas(Npt) = -1./(Dlvpt(Npt)+(Dlvtp(Npt)**2)*Enn/Cpr(Npt))
GOTO 1400
ELSE
WRITE (IOOUT,99009) numb,Msing
lsing = Msing
ixsing = ixsing + 1
IF ( ixsing.LE.8 ) THEN
xsize = 80.
tsize = xsize
IF ( Msing.GT.Nlm.AND.numb.LT.1.AND.Npr.GT.1.AND.
& jdelg.GT.0 ) THEN
ween = 1000.
j = 0
DO 570 i = 1,Npr
jcondi = Jcond(i)
IF ( jcondi.NE.jdelg ) THEN
DO ll = 1,Nlm
IF ( A(ll,jdelg).NE.0.AND.A(ll,jcondi).NE.0. ) THEN
IF ( En(jcondi,Npt).LE.ween ) THEN
ween = En(jcondi,Npt)
j = jcondi
k = i
ENDIF
GOTO 570
ENDIF
ENDDO
ENDIF
570 CONTINUE
IF ( j.GT.0 ) THEN
WRITE (IOOUT,99020)
GOTO 1000
ENDIF
ELSEIF ( .NOT.Hp.OR.Npt.NE.1.OR.Nc.EQ.0.OR.Tt.GT.100. ) THEN
IF ( ixsing.GE.3 ) THEN
IF ( Msing.LT.Iq1 ) THEN
IF ( reduce.AND.Msing.LE.Nlm ) THEN
IF ( Nlm.LT.lelim ) GOTO 1500
WRITE (IOOUT,99010) Npt,Elmt(Nlm)
Nlm = Nlm - 1
GOTO 500
ELSEIF ( Msing.LE.Nlm ) THEN
C FIND NEW COMPONENTS
IF ( .NOT.Ions ) GOTO 1100
IF ( Elmt(Nlm).NE.'E' ) GOTO 1100
DO j = 1,Ng
IF ( A(Nlm,j).NE.0. ) En(j,Npt) = 0.D0
ENDDO
pie = X(Nlm)
Nlm = Nlm - 1
IF ( Msing.GT.Nlm ) GOTO 500
GOTO 1100
ELSE
C REMOVE CONDENSED SPECIES TO CORRECT SINGULARITY
k = Msing - Nlm
j = Jcond(k)
IF ( j.NE.jcons ) THEN
jcons = j
GOTO 1000
ENDIF
ENDIF
ENDIF
ENDIF
DO 575 jj = 1,Ng
IF ( Ions ) THEN
IF ( Elmt(Nlm).NE.'E' ) THEN
IF ( A(ls,jj).NE.0. ) GOTO 575
ENDIF
ENDIF
IF ( En(jj,Npt).EQ.0. ) THEN
En(jj,Npt) = smalno
Enln(jj) = smnol
ENDIF
575 CONTINUE
GOTO 500
ELSE
WRITE (IOOUT,99008)
ENDIF
ENDIF
ENDIF
GOTO 1500
ENDIF
C CALCULATE ENTROPY, CHECK ON DELTA S FOR SP PROBLEMS
600 Ssum(Npt) = 0.
DO j = 1,Ng
Ssum(Npt) = Ssum(Npt) + En(j,Npt)*(S(j)-Enln(j)-Tm)
ENDDO
IF ( Npr.GT.0 ) THEN
DO k = 1,Npr
j = Jcond(k)
Ssum(Npt) = Ssum(Npt) + En(j,Npt)*S(j)
ENDDO
ENDIF
IF ( .NOT.Sp ) THEN
Convg = .TRUE.
ELSE
tem = Ssum(Npt) - S0
IF ( DABS(tem).GT..0005 ) GOTO 500
IF ( Debug(Npt) ) WRITE (IOOUT,99018) tem
Convg = .TRUE.
ENDIF
C CONVERGENCE TESTS ARE SATISFIED, TEST CONDENSED SPECIES.
700 ncvg = ncvg + 1
IF ( ncvg.GT.lncvg ) THEN
C ERROR, SET TT=0
WRITE (IOOUT,99034) lncvg
GOTO 1500
ELSE
IF ( .NOT.Shock ) THEN
DO il = 1,le
xx(il) = X(il)
ENDDO
IF ( .NOT.Short ) THEN
IF ( newcom ) WRITE (IOOUT,99021) (cmp(k),k=1,le)
WRITE (IOOUT,99022) Npt,numb,Tt,(xx(il),il=1,le)
ENDIF
IF ( .NOT.Tp.AND.Npr.EQ.0.AND.Tt.LE.Tg(1)*.2D0 ) THEN
WRITE (IOOUT,99008)
GOTO 1500
ENDIF
newcom = .FALSE.
ENDIF
IF ( Npr.NE.0 ) THEN
bigneg = 0.
jneg = 0
DO k = 1,Npr
j = Jcond(k)
IF ( En(j,Npt)*Cp(j).LE.bigneg ) THEN
bigneg = En(j,Npt)*Cp(j)
jneg = j
kneg = k
ENDIF
ENDDO
IF ( jneg.NE.0 ) THEN
j = jneg
k = kneg
IF ( j.EQ.Jsol.OR.j.EQ.Jliq ) THEN
Jsol = 0
Jliq = 0
ENDIF
GOTO 1000
ENDIF
ENDIF
IF ( Ngc.NE.Ng.OR.Tp ) THEN
Ng = Ngc
CALL CPHS
Ng = Ngp1 - 1
cpcalc = .TRUE.
IF ( Ngc.EQ.Ng ) GOTO 750
CALL ALLCON
IF ( Npr.NE.0.AND..NOT.Tp ) THEN
gap = 50.
DO 710 ipr = 1,Npr
j = Jcond(ipr)
IF ( j.NE.Jsol.AND.j.NE.Jliq ) THEN
inc = j - Ng
kg = -Ifz(inc)
DO iz = 1,20
kg = kg + 1
kc = inc + kg
IF ( Tt.LE.Temp(2,kc) ) THEN
IF ( kg.NE.0 ) THEN
jkg = j + kg
IF ( IABS(kg).GT.1.OR.Prod(j).EQ.Prod(jkg) )
& GOTO 740
IF ( jkg.EQ.jsw ) GOTO 720
IF ( Tt.LT.Temp(1,inc)-gap.OR.Tt.GT.Temp(2,inc)
& +gap ) GOTO 740
GOTO 720
ENDIF
GOTO 710
ELSEIF ( Ifz(kc+1).LE.Ifz(kc) ) THEN
GOTO 710
ENDIF
ENDDO
IF ( Tt.GT.Temp(2,kc)*1.2D0 ) GOTO 1000
ENDIF
710 CONTINUE
ENDIF
sizeg = 0.
szgj = 0.
DO inc = 1,Nc
j = inc + Ng
IF ( Debug(Npt) ) WRITE (IOOUT,99024) Prod(j),Temp(1,inc),
& Temp(2,inc),En(j,Npt)
IF ( En(j,Npt).LE.0. ) THEN
IF ( Tt.GT.Temp(1,inc).OR.Temp(1,inc).EQ.Tg(1) ) THEN
IF ( Tt.LE.Temp(2,inc) ) THEN
sum = 0.
DO i = 1,Nlm
sum = sum + A(i,j)*X(i)
ENDDO
delg = (H0(j)-S(j)-sum)/Mw(j)
IF ( delg.LT.sizeg.AND.delg.LT.0. ) THEN
IF ( j.NE.jcons ) THEN
sizeg = delg
jdelg = j
ELSE
szgj = delg
ENDIF
ipr = ipr - 1
ENDIF
IF ( Debug(Npt) ) WRITE (IOOUT,99025) delg,sizeg
ENDIF
ENDIF
ENDIF
ENDDO
IF ( sizeg.EQ.0..AND.szgj.EQ.0. ) GOTO 750
IF ( sizeg.NE.0. ) THEN
j = jdelg
GOTO 800
ELSE
WRITE (IOOUT,99026) Prod(jcons)
GOTO 1500
ENDIF
720 kk = MAX(0,kg)
tmelt = Temp(kk+1,inc)
Tt = tmelt
Tln = DLOG(Tt)
Jsol = MIN(j,jkg)
Jliq = Jsol + 1
En(jkg,Npt) = .5D0*En(j,Npt)
En(j,Npt) = En(jkg,Npt)
j = jkg
GOTO 800
C WRONG PHASE INCLUDED FOR T INTERVAL, SWITCH EN
740 En(jkg,Npt) = En(j,Npt)
Jcond(ipr) = jkg
En(j,Npt) = 0.
jsw = j
IF ( Prod(j).NE.Prod(jkg).AND..NOT.Short ) WRITE (IOOUT,99023)
& Prod(j),Prod(jkg)
j = jkg
GOTO 900
ENDIF
C CONVERGED WITH NO CONDENSED CHANGES. IF BOTH SOLID & LIQ PRESENT,
C TEMPORARILY REMOVE LIQ TO PREVENT SINGULAR DERIVATIVE MATRIX.
750 Sumn = Enn
IF ( Jsol.NE.0 ) THEN
ensol = En(Jsol,Npt)
En(Jsol,Npt) = En(Jsol,Npt) + En(Jliq,Npt)
Dlvtp(Npt) = 0.
Cpr(Npt) = 0.
Gammas(Npt) = 0.
Pderiv = .TRUE.
DO k = 1,Npr
IF ( Jcond(k).EQ.Jliq ) GOTO 760
ENDDO
760 DO i = k,Npr
Jcond(i) = Jcond(i+1)
ENDDO
Npr = Npr - 1
ENDIF
GOTO 500
ENDIF
C ADD CONDENSED SPECIES
800 Npr = Npr + 1
i = Npr
DO ix = 2,Npr
Jcond(i) = Jcond(i-1)
i = i - 1
ENDDO
Jcond(1) = j
IF ( .NOT.Short ) WRITE (IOOUT,99027) Prod(j)
900 inc = j - Ng
Convg = .FALSE.
IF ( Tp ) cpcalc = .FALSE.
numb = -1
GOTO 500
C REMOVE CONDENSED SPECIES
1000 En(j,Npt) = 0.D0
Deln(j) = 0.D0
Enln(j) = 0.D0
DO i = k,Npr
Jcond(i) = Jcond(i+1)
ENDDO
IF ( .NOT.Short ) WRITE (IOOUT,99028) Prod(j)
Npr = Npr - 1
DO i = 1,Nlm
IF ( cmp(i).EQ.Prod(j) ) THEN
numb = -1
Convg = .FALSE.
IF ( Tp ) cpcalc = .FALSE.
GOTO 1100
ENDIF
ENDDO
GOTO 900
1100 newcom = .FALSE.
nn = Nlm
IF ( Elmt(Nlm).EQ.'E' ) nn = Nlm - 1
C FIND ORDER OF SPECIES FOR COMPONENTS - BIGGEST TO SMALLEST
njc = 0
DO lc = 1,nn
lcs(lc) = 0
ENDDO
1200 bigen = -1.D-35
DO j = 1,Ng
IF ( En(j,Npt).GT.bigen ) THEN
IF ( .NOT.Ions.OR.A(ls,j).EQ.0. ) THEN
bigen = En(j,Npt)
jbx = j
ENDIF
ENDIF
ENDDO
IF ( bigen.GT.0. ) THEN
DO 1250 lc = 1,nn
IF ( jbx.EQ.0 ) jbx = Jx(lc)
IF ( A(lc,jbx).GT.smalno ) THEN
IF ( njc.NE.0 ) THEN
DO 1205 i = 1,njc
l = lcs(i)
IF ( l.EQ.lc ) GOTO 1250
IF ( l.EQ.0 ) GOTO 1210
j = Jcm(l)
DO l = 1,nn
IF ( A(l,jbx).NE.A(l,j) ) GOTO 1205
ENDDO
GOTO 1250
1205 CONTINUE
ENDIF
1210 DO i = 1,nn
IF ( i.NE.lc ) THEN
jex = Jx(i)
IF ( DABS(A(lc,jbx)*A(i,jex)-A(lc,jex)*A(i,jbx))
& .LE.smalno ) GOTO 1250
ENDIF
ENDDO
njc = njc + 1
IF ( jbx.NE.Jcm(lc) ) newcom = .TRUE.
Jcm(lc) = jbx
lcs(njc) = lc
GOTO 1300
ENDIF
1250 CONTINUE
1300 En(jbx,Npt) = -En(jbx,Npt)
IF ( njc.LT.nn ) GOTO 1200
ENDIF
DO j = 1,Ng
En(j,Npt) = DABS(En(j,Npt))
ENDDO
IF ( newcom ) THEN
C SWITCH COMPONENTS
DO lc = 1,nn
jb = Jcm(lc)
IF ( A(lc,jb).EQ.0. ) THEN
jb = Jx(lc)
Jcm(lc) = jb
ENDIF
tem = A(lc,jb)
IF ( tem.NE.0. ) THEN
pisave(lc) = H0(jb) - S(jb)
IF ( jb.LE.Ng ) pisave(lc) = pisave(lc) + Enln(jb) + Tm
cmp(lc) = Prod(jb)
C CALCULATE NEW COEFFICIENTS
IF ( tem.NE.1. ) THEN
B0(lc) = B0(lc)/tem
B0p(lc,1) = B0p(lc,1)/tem
B0p(lc,2) = B0p(lc,2)/tem
DO j = 1,Nspx
A(lc,j) = A(lc,j)/tem
ENDDO
ENDIF
DO i = 1,nn
IF ( A(i,jb).NE.0..AND.i.NE.lc ) THEN
tem = A(i,jb)
DO j = 1,Nspx
A(i,j) = A(i,j) - A(lc,j)*tem
IF ( DABS(A(i,j)).LT.1.E-5 ) A(i,j) = 0.
ENDDO
B0(i) = B0(i) - B0(lc)*tem
B0p(i,1) = B0p(i,1) - B0p(lc,1)*tem
B0p(i,2) = B0p(i,2) - B0p(lc,2)*tem
ENDIF
ENDDO
ENDIF
ENDDO
IF ( Debug(Npt) ) THEN
WRITE (IOOUT,99029)
WRITE (IOOUT,99030) (cmp(k),k=1,nn)
ENDIF
ENDIF
IF ( Msing.NE.0 ) THEN
C SWITCH ORDER OF MSING AND NLM COMPONENTS
reduce = .TRUE.
lelim = Nlm
lsing = Nlm
IF ( Msing.NE.Nlm ) THEN
DO j = 1,Nspx
aa = A(Msing,j)
A(Msing,j) = A(Nlm,j)
A(Nlm,j) = aa
ENDDO
ja = Jcm(Msing)
Jcm(Msing) = Jcm(Nlm)
Jcm(Nlm) = ja
ae = cmp(Msing)
cmp(Msing) = cmp(Nlm)
cmp(Nlm) = ae
ae = Elmt(Msing)
Elmt(Msing) = Elmt(Nlm)
Elmt(Nlm) = ae
ja = Jx(Msing)
Jx(Msing) = Jx(Nlm)
Jx(Nlm) = ja
aa = Atwt(Msing)
Atwt(Msing) = Atwt(Nlm)
Atwt(Nlm) = aa
aa = B0(Msing)
B0(Msing) = B0(Nlm)
B0(Nlm) = aa
aa = pisave(Msing)
pisave(Msing) = pisave(Nlm)
pisave(Nlm) = aa
DO i = 1,2
aa = B0p(Msing,i)
B0p(Msing,i) = B0p(Nlm,i)
B0p(Nlm,i) = aa
ENDDO
ENDIF
ELSEIF ( .NOT.newcom.AND.Trace.EQ.0. ) THEN
GOTO 600
ENDIF
Msing = 0
tsize = xsize
GOTO 500
1400 Ttt(Npt) = Tt
Ppp(Npt) = Pp
Vlm(Npt) = Rr*Enn*Tt/Pp
Hsum(Npt) = Hsum(Npt)*Tt
Wm(Npt) = 1./Enn
gasfrc = Enn/Totn(Npt)
IF ( gasfrc.LT..0001 ) WRITE (IOOUT,99031) Npt,gasfrc
IF ( Trace.NE.0. ) THEN
DO 1450 j = 1,Ng
IF ( lelim.NE.0 ) THEN
DO i = lelim,ls
IF ( A(i,j).NE.0. ) GOTO 1450
ENDDO
ENDIF
IF ( Enln(j).GT.-87. ) En(j,Npt) = DEXP(Enln(j))
1450 CONTINUE
ENDIF
IF ( Debug(Npt) ) WRITE (IOOUT,99032) Npt,Pp,Tt,Hsum(Npt),
& Ssum(Npt),Wm(Npt),Cpr(Npt),Dlvpt(Npt),
& Dlvtp(Npt),Gammas(Npt),Vlm(Npt)
IF ( Tt.GE.Tg(1).AND.Tt.LE.Tg(4) ) GOTO 1600
IF ( Shock ) GOTO 1600
WRITE (IOOUT,99033) Tt,Npt
IF ( Tt.GE.Tg(1)*.8D0.AND.Tt.LE.Tg(4)*1.1D0 ) GOTO 1600
Npt = Npt + 1
1500 Tt = 0.
Npt = Npt - 1
WRITE (IOOUT,99035) Npt
1600 Lsave = Nlm
Nlm = ls
IF ( Npr.GT.0 ) Gonly = .FALSE.
RETURN
99001 FORMAT (/' POINT ITN',6X,'T',10X,4(A4,8X)/(18X,5(A4,8X)))
99002 FORMAT (/' T DERIV MATRIX')
99003 FORMAT (/' P DERIV MATRIX')
99004 FORMAT (/' ITERATION',I3,6X,'MATRIX ')
99005 FORMAT (/' SOLUTION VECTOR',/,6x,5A15/8X,5A15)
99006 FORMAT (3X,5E15.6)
99007 FORMAT (/' DERIVATIVE MATRIX SINGULAR (EQLBRM)')
99008 FORMAT (/' LOW TEMPERATURE IMPLIES A CONDENSED SPECIES SHOULD HA',
& 'VE BEEN INSERTED,',
& /' RESTART WITH insert DATASET (EQLBRM)')
99009 FORMAT (/' SINGULAR MATRIX, ITERATION',I3,' VARIABLE',I3,
& '(EQLBRM)')
99010 FORMAT (/' WARNING!! POINT',I3,
& ' USES A REDUCED SET OF COMPONENTS',/
& ' SPECIES CONTAINING THE ELIMINATED COMPONENT ARE OMITTED.'
& ,/
& ' IT MAY BE NECESSARY TO RERUN WITH INSERTED CONDENSED SPECIES'
& ,/' CONTAINING COMPONENT ',A8,'(EQLBRM)')
99011 FORMAT (/' T=',E15.8,' ENN=',E15.8,' ENNL=',E15.8,' PP=',E15.8,
& /' LN P/N=',E15.8,' AMBDA=',E15.8)
99012 FORMAT (/' AMBDA SET BY ',A16)
99013 FORMAT (' VOLUME=',E15.8,'CC/G')
99014 FORMAT (/24X,'Nj',12X,'LN Nj',8X,'DEL LN Nj',6X,'H0j/RT',/,41X,
& 'S0j/R',10X,' G0j/RT',8X,' Gj/RT')
99015 FORMAT (1X,A16,4E15.6,/35x,3E15.6)
99016 FORMAT (/' ELECTRON BALANCE ITER NO. =',I4,' DELTA PI =',E14.7)
99017 FORMAT (/' DID NOT CONVERGE ON ELECTRON BALANCE (EQLBRM)')
99018 FORMAT (/' DELTA S/R =',E15.8)
99019 FORMAT (/,I4,' ITERATIONS DID NOT SATISFY CONVERGENCE',/,15x,
& ' REQUIREMENTS FOR THE POINT',I5,' (EQLBRM)')
99020 FORMAT (/' TRY REMOVING CONDENSED SPECIES (EQLBRM)')
99021 FORMAT (/' POINT ITN',6X,'T',10X,4A12/(18X,5A12))
99022 FORMAT (I4,I5,5F12.3,/(12X,5F12.3))
99023 FORMAT (' PHASE CHANGE, REPLACE ',A16,'WITH ',A16)
99024 FORMAT (/1X,A15,2F10.3,3X,E15.7)
99025 FORMAT (' [G0j-SUM(Aij*PIi)]/Mj =',E15.7,9X,'MAX NEG DELTA G =',
& E15.7)
99026 FORMAT (/' REINSERTION OF ',A16,' LIKELY TO CAUSE SINGULARITY,',
& '(EQLBRM)')
99027 FORMAT (' ADD ',A16)
99028 FORMAT (' REMOVE ',A16)
99029 FORMAT (/' NEW COMPONENTS')
99030 FORMAT (/2x,6A12)
99031 FORMAT (/' WARNING! RESULTS MAY BE WRONG FOR POINT',I3,' DUE TO',
& /' LOW MOLE FRACTION OF GASES (',E15.8,') (EQLBRM)')
99032 FORMAT (/' POINT=',I3,3X,'P=',E13.6,3X,'T=',E13.6,/3X,'H/R=',
& E13.6,3X,'S/R=',E13.6,/3X,'M=',E13.6,3X,'CP/R=',E13.6,3X,
& 'DLVPT=',E13.6,/3X,'DLVTP=',E13.6,3X,'GAMMA(S)=',E13.6,3X,
& 'V=',E13.6)
99033 FORMAT (' THE TEMPERATURE=',E12.4,' IS OUT OF RANGE FOR POINT',I5,
& '(EQLBRM)')
99034 FORMAT (/,I3,' CONVERGENCES FAILED TO ESTABLISH SET OF CONDENSED',
& ' SPECIES (EQLBRM)')
99035 FORMAT (/' CALCULATIONS STOPPED AFTER POINT',I3,'(EQLBRM)')
END
SUBROUTINE FROZEN
C***********************************************************************
C CALCULATE PROPERTIES WITH FROZEN COMPOSITION AT ASSIGNED ENTROPY
C AND PRESSURE. CALLED FROM ROCKET.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER i,inc,iter,j,k,nnn
REAL*8 DABS,DEXP,DLOG
REAL*8 dlnt,dlpm
SAVE dlnt,dlpm,i,inc,iter,j,k,nnn
C
Convg = .FALSE.
Tln = DLOG(Tt)
dlpm = DLOG(Pp*Wm(Nfz))
nnn = Npt
Npt = Nfz
DO j = 1,Ng
IF ( En(j,Nfz).NE.0.D0 ) Deln(j) = -(DLOG(En(j,Nfz))+dlpm)
ENDDO
DO iter = 1,8
Ssum(nnn) = 0.D0
Cpsum = 0.D0
CALL CPHS
DO j = 1,Ng
Cpsum = Cpsum + En(j,Nfz)*Cp(j)
Ssum(nnn) = Ssum(nnn) + En(j,Nfz)*(S(j)+Deln(j))
ENDDO
IF ( Npr.NE.0 ) THEN
DO k = 1,Npr
j = Jcond(k)
Cpsum = Cpsum + En(j,Nfz)*Cp(j)
Ssum(nnn) = Ssum(nnn) + En(j,Nfz)*S(j)
ENDDO
ENDIF
IF ( Convg ) THEN
Npt = nnn
Hsum(Npt) = 0.D0
DO j = 1,Ngc
Hsum(Npt) = Hsum(Npt) + En(j,Nfz)*H0(j)
ENDDO
Hsum(Npt) = Hsum(Npt)*Tt
Ttt(Npt) = Tt
Gammas(Npt) = Cpsum/(Cpsum-1./Wm(Nfz))
Vlm(Npt) = Rr*Tt/(Wm(Nfz)*Pp)
Wm(Npt) = Wm(Nfz)
Dlvpt(Npt) = -1.
Dlvtp(Npt) = 1.
Totn(Npt) = Totn(Nfz)
Ppp(Npt) = Pp
Cpr(Npt) = Cpsum
IF ( Tt.GE.(Tg(1)*.8D0) ) THEN
DO i = Ngp1,Ngc
IF ( En(i,Nfz).NE.0. ) THEN
inc = i - Ng
IF ( Tt.LT.(Temp(1,inc)-50.).OR.Tt.GT.(Temp(2,inc)+50.)
& ) GOTO 100
ENDIF
ENDDO
GOTO 200
ENDIF
GOTO 100
ELSE
dlnt = (Ssum(Nfz)-Ssum(nnn))/Cpsum
Tln = Tln + dlnt
IF ( DABS(dlnt).LT.0.5D-4 ) Convg = .TRUE.
Tt = DEXP(Tln)
ENDIF
ENDDO
WRITE (IOOUT,99001)
100 Tt = 0.
Npt = Npt - 1
200 RETURN
99001 FORMAT (/' FROZEN DID NOT CONVERGE IN 8 ITERATIONS (FROZEN)')
END
SUBROUTINE GAUSS
C***********************************************************************
C SOLVE ANY LINEAR SET OF UP TO MAXMAT EQUATIONS
C NUMBER OF EQUATIONS = IMAT
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER i,imatp1,j,k,nn,nnp1
REAL*8 bigno,coefx(50),tmp
REAL*8 DABS,DMAX1
SAVE coefx,i,imatp1,j,k,nn,nnp1,tmp
C
DATA bigno/1.E+25/
C BEGIN ELIMINATION OF NNTH VARIABLE
imatp1 = Imat + 1
DO nn = 1,Imat
IF ( nn.NE.Imat ) THEN
C SEARCH FOR MAXIMUM COEFFICIENT IN EACH ROW
nnp1 = nn + 1
DO i = nn,Imat
coefx(i) = bigno
IF ( G(i,nn).NE.0. ) THEN
coefx(i) = 0.
DO j = nnp1,imatp1
coefx(i) = DMAX1(coefx(i),DABS(G(i,j)))
ENDDO
tmp = DABS(G(i,nn))
IF ( bigno*tmp.GT.coefx(i) ) THEN
coefx(i) = coefx(i)/tmp
ELSE
coefx(i) = bigno
ENDIF
ENDIF
ENDDO
C LOCATE ROW WITH SMALLEST MAXIMUM COEFFICIENT
tmp = bigno
i = 0
DO j = nn,Imat
IF ( coefx(j).LT.tmp ) THEN
tmp = coefx(j)
i = j
ENDIF
ENDDO
IF ( i.EQ.0 ) THEN
Msing = nn
GOTO 99999
C INDEX I LOCATES EQUATION TO BE USED FOR ELIMINATING THE NTH
C VARIABLE FROM THE REMAINING EQUATIONS
C INTERCHANGE EQUATIONS I AND NN
ELSEIF ( nn.NE.i ) THEN
DO j = nn,imatp1
tmp = G(i,j)
G(i,j) = G(nn,j)
G(nn,j) = tmp
ENDDO
ENDIF
ELSEIF ( G(nn,nn).EQ.0 ) THEN
Msing = nn
GOTO 99999
ENDIF
C DIVIDE NTH ROW BY NTH DIAGONAL ELEMENT AND ELIMINATE THE NTH
C VARIABLE FROM THE REMAINING EQUATIONS
k = nn + 1
tmp = G(nn,nn)
IF ( tmp.EQ.0. ) THEN
Msing = nn
GOTO 99999
ELSE
DO j = k,imatp1
G(nn,j) = G(nn,j)/tmp
ENDDO
IF ( k.NE.imatp1 ) THEN
DO i = k,Imat
CDIR$ IVDEP
DO j = k,imatp1
G(i,j) = G(i,j) - G(i,nn)*G(nn,j)
ENDDO
ENDDO
ENDIF
ENDIF
ENDDO
C BACKSOLVE FOR THE VARIABLES
k = Imat
100 j = k + 1
X(k) = 0.0D0
tmp = 0.0
IF ( Imat.GE.j ) THEN
DO i = j,Imat
tmp = tmp + G(k,i)*X(i)
ENDDO
ENDIF
X(k) = G(k,imatp1) - tmp
k = k - 1
IF ( k.NE.0 ) GOTO 100
99999 END
SUBROUTINE HCALC
C***********************************************************************
C CALCULATE PROPERTIES FOR TOTAL REACTANT USING THERMO DATA FOR
C ONE OR MORE REACTANTS. USED ONLY FOR SHOCK AND DETON PROBLEMS.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*6 date(MAXNGC)
CHARACTER*2 el(5)
CHARACTER*15 sub
INTEGER i,icf,ifaz,itot,j,k,l,m,n,nall,nint,ntgas,ntot
REAL*8 bb(5),enj,er,sj,t1,t2,tem,thermo(9,3),tsave
REAL*8 DLOG
SAVE bb,date,el,enj,er,i,icf,ifaz,itot,j,k,l,m,n,nall,nint,ntgas,
& ntot,sj,sub,t1,t2,tem,thermo,tsave
C
tsave = Tt
Tm = 0.
IF ( Pp.GT.0. ) Tm = DLOG(Pp*Wmix)
Ssum(Npt) = 0.
Hpp(1) = 0.
Hpp(2) = 0.
Hsub0 = 0.
Cpmix = 0.
tem = (1.+Oxfl)
C LOOP ON REACTANTS.
C IF OXIDANT, K=1
C IF FUEL, K=2
Nspr = Nspx
DO n = 1,Nreac
k = 2
IF ( Fox(n)(:1).EQ.'O'.OR.Fox(n)(:1).EQ.'o' ) k = 1
IF ( Tt.EQ.0. ) Tt = Rtemp(n)
j = Jray(n)
IF ( j.EQ.0 ) THEN
C SEARCH FOR REACTANT IN STORED THERMO SPECIES. STORE INDEX IN JRAY(N).
ifaz = 0
DO j = 1,Ngc
IF ( Rname(n).EQ.Prod(j).OR.'*'//Rname(n).EQ.Prod(j) ) THEN
Jray(n) = j
IF ( j.GT.Ng ) THEN
WRITE (IOOUT,99001)
GOTO 20
ENDIF
GOTO 50
ENDIF
ENDDO
C SEARCH THERMO.LIB FOR SPECIES.
REWIND IOTHM
READ (IOTHM) Tg,ntgas,ntot,nall
Nspr = Nspr + 1
DO itot = 1,nall
IF ( itot.LE.ntot ) THEN
icf = 3
IF ( itot.GT.ntgas ) icf = 1
READ (IOTHM) sub,nint,date(Nspr),(el(j),bb(j),j=1,5),ifaz,
& t1,t2,Mw(Nspr),((thermo(l,m),l=1,9),m=1,icf)
ELSE
READ (IOTHM) sub,nint,date(Nspr),(el(j),bb(j),j=1,5),ifaz,
& t1,t2,Mw(Nspr),er
IF ( nint.NE.0 ) THEN
READ (IOTHM) ((thermo(i,j),i=1,9),j=1,nint)
icf = nint
ENDIF
ENDIF
IF ( sub.EQ.Rname(n).OR.sub.EQ.'*'//Rname(n) ) THEN
IF ( ifaz.LE.0.AND.nint.GT.0 ) THEN
DO j = 1,5
IF ( bb(j).EQ.0. ) GOTO 2
Nfla(n) = j
Ratom(n,j) = el(j)
Rnum(n,j) = bb(j)
ENDDO
2 Jray(n) = Nspr
j = Nspr
DO l = 1,icf
DO m = 1,9
Coef(j,m,l) = thermo(m,l)
ENDDO
ENDDO
GOTO 50
ELSE
IF ( ifaz.GT.0 ) WRITE (IOOUT,99001)
IF ( nint.EQ.0 ) WRITE (IOOUT,99002) Rname(n)
GOTO 20
ENDIF
ENDIF
ENDDO
Nspr = Nspr - 1
WRITE (IOOUT,99003) Rname(n)
Energy(n) = ' '
20 Tt = 0.
Cpmix = 0.
GOTO 100
ENDIF
C CALCULATE EN FOR REACTANT AND CALCULATE PROPERTIES.
50 IF ( Moles ) enj = Pecwt(n)/Wp(k)
IF ( .NOT.Moles ) enj = Pecwt(n)/Rmw(n)
enj = enj/tem
IF ( k.EQ.1 ) enj = enj*Oxfl
Tln = DLOG(Tt)
En(j,Npt) = enj
l = 1
IF ( ifaz.LE.0 ) THEN
IF ( Tt.GT.Tg(2) ) l = 2
IF ( Tt.GT.Tg(3).AND.ifaz.LT.0 ) l = 3
ENDIF
S(j) = ((((Coef(j,7,l)/4.)*Tt+Coef(j,6,l)/3.)*Tt+Coef(j,5,l)/2.)
& *Tt+Coef(j,4,l))*Tt - (Coef(j,1,l)*.5D0/Tt+Coef(j,2,l))
& /Tt + Coef(j,3,l)*Tln + Coef(j,9,l)
H0(j) = ((((Coef(j,7,l)/5.)*Tt+Coef(j,6,l)/4.)*Tt+Coef(j,5,l)/3.
& )*Tt+Coef(j,4,l)/2.)
& *Tt - (Coef(j,1,l)/Tt-Coef(j,2,l)*Tln-Coef(j,8,l))
& /Tt + Coef(j,3,l)
Cp(j) = (((Coef(j,7,l)*Tt+Coef(j,6,l))*Tt+Coef(j,5,l))
& *Tt+Coef(j,4,l))*Tt + (Coef(j,1,l)/Tt+Coef(j,2,l))
& /Tt + Coef(j,3,l)
IF ( H0(j).GT.-.01.AND.H0(j).LT..01 ) H0(j) = 0.
C ADD CONTRIBUTION TO CP, H, AND S OF TOTAL REACTANT.
Cpmix = Cpmix + Cp(j)*enj
C FOR CONDENSED SPECIES: SJ = S(J)
sj = S(j) - DLOG(enj) - Tm
Ssum(Npt) = Ssum(Npt) + enj*sj
er = H0(j)*enj*Tt
Hsub0 = Hsub0 + er
Hpp(k) = Hpp(k) + er
ENDDO
IF ( tsave.NE.0. ) Tt = tsave
100 RETURN
99001 FORMAT (/' REACTANTS MUST BE GASEOUS FOR THIS PROBLEM (HCALC)')
99002 FORMAT (/' COEFFICIENTS FOR ',A15,' ARE NOT AVAILABLE (HCALC)')
99003 FORMAT (/' ERROR IN DATA FOR ',A15,' CHECK NAME AND TEMPERATURE',
& ' RANGE IN',/,' thermo.inp (HCALC)')
END
SUBROUTINE INFREE(Readok,Cin,Ncin,Lcin,Dpin)
C***********************************************************************
C FREE-FORM READ FOR CEA. READS AND DECIPHERS DATA FOR ONE DATASET.
C
C DEFINITIONS:
C CH1 - INDIVIDUAL CHARACTERS IN RECORD, MAXIMUM 132.
C NCH1 - COLUMN NUMBER FOR THE LAST NON-BLANK CHARACTER IN RECORD.
C NCIN - NUMBER OF VARIABLES IN DATASET.
C CIN - CHARACTER STRINGS IN DATASET. MAXIMUM 15 CHARACTERS.
C LCIN - NEG. LENGTH OF LITERALS. FOR NUMERICS, INDEX OF PREVIOUS
C LITERAL. ZERO FOR UNACCEPTIBLE VARIABLES. VARIABLE
C FOLLOWING "CASE" IS ALWAYS ASSUMED TO BE LITERAL.
C NB - NUMBER OF DELIMITERS IN STRING.
C NX - NUMBER OF CHARACTERS IN STRING.
C DPIN - NUMERICS AS DOUBLE PRECISION VARIABLE.
C CNUM - CHARACTER STRING REPRESENTING DATASET NUMBERS. MAXIMUM 24
C CHARACTERS.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C DUMMY ARGUMENTS
CHARACTER*15 Cin(MAXNGC)
INTEGER Ncin
INTEGER Lcin(MAXNGC)
LOGICAL Readok
REAL*8 Dpin(MAXNGC)
C LOCAL VARIABLES
CHARACTER*1 ch1(132),cx,nums(13)
CHARACTER*24 cnum
CHARACTER*3 fmtl(3)
CHARACTER*2 numg(24)
CHARACTER*4 w1
INTEGER i,ich1,j,kcin,nb,nch1,nx
C
DATA fmtl/'(g','16','.0)'/
DATA nums/'+','-','0','1','2','3','4','5','6','7','8','9','.'/
DATA numg/'1','2','3','4','5','6','7','8','9','10','11','12','13',
& '14','15','16','17','18','19','20','21','22','23','24'/
Ncin = 1
Lcin(1) = 0
kcin = 0
Dpin(1) = 0.D0
100 nb = 1
nx = 0
cnum = ' '
Cin(Ncin) = ' '
ch1(1) = ' '
nch1 = 1
C READ CHARACTERS, ONE AT A TIME
READ (IOINP,99001,END=500,ERR=500) ch1
C FIND FIRST AND LAST NON-BLANK CHARACTER
DO i = 132,1, - 1
nch1 = i
IF ( ch1(i).NE.' '.AND.ch1(i).NE.' ' ) GOTO 200
ENDDO
200 DO i = 1,nch1
ich1 = i
IF ( ch1(i).NE.' '.AND.ch1(i).NE.' ' ) GOTO 300
ENDDO
300 IF ( nch1.EQ.1.OR.ch1(ich1).EQ.'#'.OR.ch1(ich1).EQ.'!' ) THEN
WRITE (IOOUT,99002) (ch1(i),i=1,nch1)
GOTO 100
ENDIF
w1 = ch1(ich1)//ch1(ich1+1)//ch1(ich1+2)//ch1(ich1+3)
C IS STRING A KEYWORD SIGNALLING START OR END OF DATASET?
IF ( w1.EQ.'ther'.OR.w1.EQ.'tran'.OR.w1.EQ.'prob'.OR.
& w1.EQ.'reac'.OR.w1.EQ.'outp'.OR.w1.EQ.'omit'.OR.
& w1.EQ.'only'.OR.w1.EQ.'inse'.OR.w1(1:3).EQ.'end' ) THEN
IF ( Ncin.EQ.1 ) THEN
Cin(Ncin) = w1
IF ( w1(1:3).EQ.'end'.OR.w1.EQ.'ther'.OR.w1.EQ.'tran' ) THEN
WRITE (IOOUT,99002) (ch1(i),i=1,nch1)
RETURN
ENDIF
ich1 = ich1 + 4
nx = 4
Lcin(1) = -4
ELSE
C KEYWORD READ FOR NEXT DATASET. END PROCESSING
BACKSPACE IOINP
IF ( nx.EQ.0 ) Ncin = Ncin - 1
RETURN
ENDIF
ELSEIF ( Ncin.EQ.1 ) THEN
WRITE (IOOUT,99003)
GOTO 500
ENDIF
WRITE (IOOUT,99002) (ch1(i),i=1,nch1)
DO 400 i = ich1,nch1
cx = ch1(i)
C LOOK FOR DELIMITER STRINGS
IF ( cx.EQ.','.AND.(Lcin(Ncin).GT.0.OR.nx.EQ.0) ) cx = ' '
IF ( cx.EQ.'='.AND.(Lcin(Ncin).LT.0.OR.nx.EQ.0) ) cx = ' '
IF ( cx.NE.' '.AND.cx.NE.' ' ) THEN
C LOOK FOR CHARACTER STRINGS
nx = nx + 1
IF ( Ncin.GT.1 ) THEN
cnum(nx:nx) = cx
IF ( nx.LE.15 ) Cin(Ncin) = cnum
IF ( nx.EQ.1 ) THEN
C IS THIS A NUMERIC?
DO j = 1,13
IF ( ch1(i).EQ.nums(j) ) THEN
Lcin(Ncin) = kcin
GOTO 310
ENDIF
ENDDO
Lcin(Ncin) = -1
kcin = Ncin
ELSEIF ( Lcin(Ncin).LT.0 ) THEN
Lcin(Ncin) = -nx
ENDIF
310 nb = 1
ENDIF
IF ( i.LT.nch1.OR.Lcin(Ncin).LT.0 ) GOTO 400
ENDIF
IF ( nb.EQ.1..AND.nx.GT.0 ) THEN
IF ( Ncin.GT.0.AND.Lcin(Ncin).GT.0 ) THEN
C CONVERT NUMERIC CHARACTER STRINGS TO REAL*8 VARIABLES (DPIN)
fmtl(2) = numg(MIN(24,nx))
C INTERNAL READ TO CONVERT TO NUMERIC
READ (cnum,fmtl,ERR=320) Dpin(Ncin)
ENDIF
GOTO 340
320 IF ( Cin(Ncin-1)(:4).NE.'case' ) WRITE (IOOUT,99004) Cin(i)
Lcin(Ncin) = 0
340 Ncin = Ncin + 1
Cin(Ncin) = ' '
Lcin(Ncin) = 0
Dpin(Ncin) = 0.D0
nx = 0
cnum = ' '
ENDIF
nb = nb + 1
400 CONTINUE
IF ( nx.GT.0 ) THEN
Ncin = Ncin + 1
Lcin(Ncin) = 0
Dpin(Ncin) = 0.D0
ENDIF
GOTO 100
500 Readok = .FALSE.
RETURN
99001 FORMAT (132A1)
99002 FORMAT (1x,80A1)
99003 FORMAT (/' FATAL ERROR IN INPUT FORMAT (INFREE)')
99004 FORMAT (/' WARNING!! UNACCEPTABLE NUMBER ',A15,' (INFREE)')
END
SUBROUTINE INPUT(Readok,Caseok,Ensert)
C***********************************************************************
C DECIPHER KEYWORDS, LITERAL VARIABLES, & NUMERICAL VARIABLES IN INPUT.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C DUMMY ARGUMENTS
LOGICAL Caseok,Readok
CHARACTER*15 Ensert(20)
C LOCAL VARIABLES
CHARACTER*15 cin(MAXNGC),cx15
CHARACTER*4 code,cx4
CHARACTER*1 cx1
CHARACTER*2 cx2
CHARACTER*3 cx3
CHARACTER*26 lc,uc
LOGICAL eqrats,incd,phi,pltdat,reacts,refl
INTEGER i,ifrmla,ii,in,iv,ix,j,jj,k,lcin(MAXNGC),ncin,nmix
INTEGER INDEX
REAL*8 denmtr,dpin(MAXNGC),eratio,hr,mix(MAXNGC),ur,xyz
REAL*8 DABS,DMIN1,DSQRT
SAVE cin,code,cx1,cx15,cx2,cx3,cx4,denmtr,dpin,eqrats,eratio,hr,i,
& ifrmla,ii,in,incd,iv,ix,j,jj,k,lcin,mix,ncin,nmix,phi,pltdat,
& reacts,refl,ur,xyz
C
DATA uc/'ABCDEFGHIJKLMNOPQRSTUVWXYZ'/
DATA lc/'abcdefghijklmnopqrstuvwxyz'/
WRITE (IOOUT,99001)
Caseok = .TRUE.
Nonly = 0
Nomit = 0
Nsert = 0
reacts = .FALSE.
Trace = 0
Short = .FALSE.
Massf = .FALSE.
DO i = 1,NCOL
Debug(i) = .FALSE.
ENDDO
Nplt = 0
Siunit = .TRUE.
pltdat = .FALSE.
C CALL INFREE TO READ DATASET
100 CALL INFREE(Readok,cin,ncin,lcin,dpin)
IF ( .NOT.Readok ) GOTO 400
code = cin(1)
IF ( code.NE.' ' ) THEN
C STORE PRODUCT NAMES FROM 'ONLY' DATASET
IF ( code.EQ.'only' ) THEN
Nonly = MIN(MAXNGC,ncin-1)
DO i = 1,Nonly
Prod(i) = cin(i+1)
ENDDO
C STORE CONDENSED PRODUCT NAMES FROM 'INSERT' DATASET
ELSEIF ( code.EQ.'inse' ) THEN
Nsert = MIN(20,ncin-1)
DO i = 1,Nsert
Ensert(i) = cin(i+1)
ENDDO
C STORE PRODUCT NAMES FROM 'OMIT' DATASET
ELSEIF ( code.EQ.'omit' ) THEN
C CHECK OMIT DATASET
Nomit = MIN(MAXNGC,ncin-1)
DO i = 1,Nomit
Omit(i) = cin(i+1)
ENDDO
C KEYWORD 'THER' READ
C CALL UTHERM TO CONVERT FORMATTED THERMODYNAMIC DATA
ELSEIF ( code.EQ.'ther' ) THEN
Newr = .TRUE.
REWIND IOTHM
CALL UTHERM(Readok)
IF ( .NOT.Readok ) THEN
WRITE (IOOUT,99025)
GOTO 400
ENDIF
C KEYWORD 'TRAN' READ
C CALL UTRAN TO CONVERT FORMATTED TRANSPORT PROPERTIES
ELSEIF ( code.EQ.'tran' ) THEN
CALL UTRAN(Readok)
IF ( .NOT.Readok ) THEN
WRITE (IOOUT,99025)
GOTO 400
ENDIF
C PROCESS 'OUTP' DATASET.
ELSEIF ( code.EQ.'outp' ) THEN
DO 120 i = 2,ncin
IF ( lcin(i).LT.0 ) THEN
cx2 = cin(i)(1:2)
cx3 = cin(i)(1:3)
cx4 = cin(i)(1:4)
IF ( cx3.EQ.'cal' ) THEN
Siunit = .FALSE.
ELSEIF ( cx4.EQ.'tran'.OR.cx3.EQ.'trn' ) THEN
Trnspt = .TRUE.
ELSEIF ( cx4.EQ.'trac' ) THEN
Trace = dpin(i+1)
ELSEIF ( cin(i)(:5).EQ.'short' ) THEN
Short = .TRUE.
ELSEIF ( cin(i)(:5).EQ.'massf' ) THEN
Massf = .TRUE.
ELSEIF ( cx3.EQ.'deb'.OR.cx3.EQ.'dbg' ) THEN
DO j = i + 1,ncin
IF ( lcin(j).NE.i ) GOTO 120
k = dpin(j)
IF ( k.LE.NCOL ) Debug(k) = .TRUE.
lcin(j) = 0
ENDDO
ELSEIF ( cx2.EQ.'si' ) THEN
Siunit = .TRUE.
ELSEIF ( pltdat.AND.Nplt.LT.20 ) THEN
Nplt = Nplt + 1
Pltvar(Nplt) = cin(i)
ELSEIF ( cx2.EQ.'pl' ) THEN
pltdat = .TRUE.
ELSE
WRITE (IOOUT,99002) cin(i)
ENDIF
ENDIF
120 CONTINUE
C SORT AND STORE DATA FROM 'REAC' DATASET.
ELSEIF ( code.EQ.'reac' ) THEN
reacts = .TRUE.
Moles = .FALSE.
Nreac = 0
DO i = 1,MAXR
Pecwt(i) = -1.
ENDDO
i = 1
140 i = i + 1
IF ( i.LE.ncin ) THEN
IF ( lcin(i).NE.0 ) THEN
IF ( lcin(i).GT.0 ) THEN
WRITE (IOOUT,99003) cin(i)
GOTO 140
ENDIF
cx15 = cin(i)
cx1 = cx15(:1)
cx2 = cx15(:2)
cx3 = cx15(:3)
cx4 = cx15(:4)
C NEW REACTANT
IF ( cx2.NE.'na'.AND.cx2.NE.'ox'.AND.cx2.NE.'fu' ) THEN
C LOOK FOR PERCENTS
IF ( cx1.EQ.'m'.OR.cx1.EQ.'w' ) THEN
IF ( lcin(i+1).GT.0 ) THEN
i = i + 1
Pecwt(Nreac) = dpin(i)
ELSE
Caseok = .FALSE.
WRITE (IOOUT,99004)
ENDIF
IF ( cx1.EQ.'m'.AND.Nreac.EQ.1 ) Moles = .TRUE.
IF ( cx1.EQ.'m'.AND..NOT.Moles.OR.cx1.EQ.'w'.AND.
& Moles ) THEN
Caseok = .FALSE.
WRITE (IOOUT,99005)
ENDIF
GOTO 140
ENDIF
C LOOK FOR TEMPERATURES
IF ( cx1.EQ.'t' ) THEN
IF ( lcin(i+1).GT.0 ) THEN
i = i + 1
Rtemp(Nreac) = dpin(i)
IF ( lcin(i-1).LT.1 ) THEN
IF ( INDEX(cx15,'r').GT.0 ) Rtemp(Nreac)
& = Rtemp(Nreac)/1.8D0
IF ( INDEX(cx15,'c').GT.0 ) Rtemp(Nreac)
& = Rtemp(Nreac) + 273.15D0
IF ( INDEX(cx15,'f').GT.0 ) Rtemp(Nreac)
& = (Rtemp(Nreac)-32.D0)/1.8D0 + 273.15D0
ENDIF
ELSE
WRITE (IOOUT,99006)
Caseok = .FALSE.
ENDIF
GOTO 140
ENDIF
C LOOK FOR ENTHALPY
IF ( cx1.EQ.'h'.OR.cx1.EQ.'u' ) THEN
Energy(Nreac) = cx15
IF ( lcin(i+1).GT.0 ) THEN
i = i + 1
Enth(Nreac) = dpin(i)*1000.D0/Rr
IF ( INDEX(cin(i-1),'c').GT.0 ) Enth(Nreac)
& = Enth(Nreac)*4.184D0
IF ( INDEX(cin(i-1),'k').GT.0 ) Enth(Nreac)
& = Enth(Nreac)*1000.D0
ENDIF
GOTO 140
ENDIF
C LOOK FOR DENSITY
IF ( cx3.EQ.'rho'.OR.cx3.EQ.'den' ) THEN
IF ( lcin(i+1).GT.0 ) THEN
i = i + 1
Dens(Nreac) = dpin(i)
IF ( INDEX(cx15,'kg').GT.0 ) Dens(Nreac)
& = Dens(Nreac)/1000.D0
ENDIF
GOTO 140
ENDIF
C CHECK FOR CHEMICAL SYMBOLS IN EXPLODED FORMULA
IF ( (lcin(i).EQ.-1.OR.lcin(i).EQ.-2).AND.INDEX(uc,cx1)
& .GT.0 ) THEN
Energy(Nreac) = ' '
ifrmla = ifrmla + 1
Nfla(Nreac) = ifrmla
IF ( lcin(i).EQ.-2 ) THEN
ix = INDEX(lc,cx2(2:2))
IF ( ix.GT.0 ) cx2(2:2) = uc(ix:ix)
ENDIF
Ratom(Nreac,ifrmla) = cx2
IF ( lcin(i+1).EQ.i ) THEN
Rnum(Nreac,ifrmla) = dpin(i+1)
ELSE
Rnum(Nreac,ifrmla) = 1.
ENDIF
i = i + 1
GOTO 140
ENDIF
WRITE (IOOUT,99007) cin(i)
ELSE
Nreac = MIN(Nreac+1,MAXR)
Fox(Nreac) = cx15
i = i + 1
IF ( lcin(i).LT.0 ) Rname(Nreac) = cin(i)
ifrmla = 0
Nfla(Nreac) = 0
Energy(Nreac) = 'lib'
Enth(Nreac) = 0.
Jray(Nreac) = 0
Pecwt(Nreac) = -1.
Rnum(Nreac,1) = 0.
Rmw(Nreac) = 0.
Rtemp(Nreac) = 0.
ENDIF
ENDIF
GOTO 140
ENDIF
C SORT AND STORE INPUT FROM 'PROB' DATASET
ELSEIF ( code.EQ.'prob' ) THEN
Case = ' '
DO i = 1,MAXPV
P(i) = 0.
V(i) = 0.
ENDDO
DO i = 1,MAXT
T(i) = 0.
ENDDO
P(1) = 1.
Trace = 0.
Lsave = 0
R = Rr/4184.D0
S0 = 0.
hr = 1.D30
ur = 1.D30
Tp = .FALSE.
Hp = .FALSE.
Sp = .FALSE.
Rkt = .FALSE.
Shock = .FALSE.
Detn = .FALSE.
Vol = .FALSE.
Ions = .FALSE.
Eql = .FALSE.
Froz = .FALSE.
Fac = .FALSE.
Debugf = .FALSE.
Acat = 0.
Ma = 0.
Nfz = 1
Nsub = 0
Nsup = 0
Npp = 0
Tcest = 3800.
DO i = 1,NCOL
Pcp(i) = 0.
Pcp(i+NCOL) = 0.
Supar(i) = 0.
Subar(i) = 0.
Mach1(i) = 0.
U1(i) = 0.
ENDDO
Gamma1 = 0.
phi = .FALSE.
eqrats = .FALSE.
incd = .FALSE.
refl = .FALSE.
Shkdbg = .FALSE.
Incdeq = .FALSE.
Incdfz = .FALSE.
Refleq = .FALSE.
Reflfz = .FALSE.
Np = 0
Nt = 1
Trnspt = .FALSE.
C PROCESS LITERAL VARIABLES IN 'PROB' DATASET THAT DO NOT HAVE
C ASSOCIATED NUMERICAL DATA.
DO 160 i = 2,ncin
IF ( lcin(i).LT.0 ) THEN
DO j = i + 1,ncin
IF ( lcin(j).EQ.i ) GOTO 160
ENDDO
cx15 = cin(i)
cx2 = cx15(:2)
cx3 = cx15(:3)
cx4 = cx15(:4)
IF ( cx4.EQ.'case' ) THEN
Case = cin(i+1)
lcin(i+1) = 0
ELSEIF ( cx2.EQ.'tp'.OR.cx2.EQ.'pt' ) THEN
Tp = .TRUE.
ELSEIF ( cx2.EQ.'hp'.OR.cx2.EQ.'ph' ) THEN
Hp = .TRUE.
ELSEIF ( cx2.EQ.'sp'.OR.cx2.EQ.'ps' ) THEN
Sp = .TRUE.
ELSEIF ( cx2.EQ.'sv'.OR.cx2.EQ.'vs' ) THEN
Sp = .TRUE.
Vol = .TRUE.
ELSEIF ( cx2.EQ.'uv'.OR.cx2.EQ.'vu' ) THEN
Hp = .TRUE.
Vol = .TRUE.
ELSEIF ( cx2.EQ.'tv'.OR.cx2.EQ.'vt' ) THEN
Tp = .TRUE.
Vol = .TRUE.
ELSEIF ( cx2.EQ.'ro'.OR.cx3.EQ.'rkt' ) THEN
Rkt = .TRUE.
ELSEIF ( cx3.EQ.'dbg'.OR.cx3.EQ.'deb' ) THEN
Debugf = .TRUE.
Shkdbg = .TRUE.
Detdbg = .TRUE.
ELSEIF ( cx3.EQ.'fac' ) THEN
Rkt = .TRUE.
Eql = .TRUE.
Fac = .TRUE.
Froz = .FALSE.
ELSEIF ( cx2.EQ.'eq' ) THEN
Eql = .TRUE.
ELSEIF ( cx2.EQ.'fr'.OR.cx2.EQ.'fz' ) THEN
Froz = .TRUE.
ELSEIF ( cx2.EQ.'sh' ) THEN
Shock = .TRUE.
ELSEIF ( cx3.EQ.'inc' ) THEN
Shock = .TRUE.
incd = .TRUE.
IF ( INDEX(cx15,'eq').GT.0 ) Eql = .TRUE.
IF ( INDEX(cx15,'fr').GT.0 ) Froz = .TRUE.
IF ( INDEX(cx15,'fz').GT.0 ) Froz = .TRUE.
ELSEIF ( cx3.EQ.'ref' ) THEN
Shock = .TRUE.
refl = .TRUE.
IF ( INDEX(cx15,'eq').GT.0 ) Eql = .TRUE.
IF ( INDEX(cx15,'fr').GT.0 ) Froz = .TRUE.
IF ( INDEX(cx15,'fz').GT.0 ) Froz = .TRUE.
ELSEIF ( cx3.EQ.'det' ) THEN
Detn = .TRUE.
ELSEIF ( cx4.EQ.'ions' ) THEN
Ions = .TRUE.
ELSE
WRITE (IOOUT,99002) cx15
ENDIF
lcin(i) = 0
ENDIF
160 CONTINUE
iv = 2
Nof = 0
GOTO 200
ELSEIF ( code(1:3).EQ.'end' ) THEN
IF ( Shock ) THEN
IF ( incd.AND.Froz ) Incdfz = .TRUE.
IF ( incd.AND.Eql ) Incdeq = .TRUE.
IF ( refl.AND.Froz ) Reflfz = .TRUE.
IF ( refl.AND.Eql ) Refleq = .TRUE.
ENDIF
Hsub0 = DMIN1(hr,ur)
Size = 0.
IF ( hr.GT..9D30 ) hr = 0.D0
IF ( ur.GT..9D30 ) ur = 0.D0
IF ( Trnspt ) Viscns = .3125*DSQRT(1.E5*Boltz/(Pi*Avgdr))
IF ( Siunit ) R = Rr/1000.
IF ( Detn.OR.Shock ) Newr = .TRUE.
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99008) Tp,(Hp.AND..NOT.Vol),Sp,(Tp.AND.Vol),
& (Hp.AND.Vol),(Sp.AND.Vol),Detn,Shock,refl,
& incd,Rkt,Froz,Eql,Ions,Siunit,Debugf,Shkdbg,
& Detdbg,Trnspt
IF ( T(1).GT.0. ) WRITE (IOOUT,99009) (T(jj),jj=1,Nt)
WRITE (IOOUT,99010) Trace,S0,hr,ur
IF ( Np.GT.0.AND.Vol ) WRITE (IOOUT,99011)
& (V(jj)*1.D-05,jj=1,Np)
ENDIF
IF ( Rkt ) THEN
IF ( Nt.EQ.0 ) Hp = .TRUE.
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99012) (P(jj),jj=1,Np)
WRITE (IOOUT,99013) (Pcp(jj),jj=1,Npp)
WRITE (IOOUT,99014) (Subar(i),i=1,Nsub)
WRITE (IOOUT,99015) (Supar(i),i=1,Nsup)
WRITE (IOOUT,99016) Nfz,Ma,Acat
ENDIF
ELSE
IF ( .NOT.Vol.AND..NOT.Short ) WRITE (IOOUT,99017)
& (P(jj),jj=1,Np)
ENDIF
IF ( reacts ) CALL REACT
IF ( Nreac.EQ.0.OR.Nlm.LE.0 ) THEN
WRITE (IOOUT,99018)
Caseok = .FALSE.
WRITE (IOOUT,99025)
GOTO 400
ENDIF
IF ( Nof.EQ.0 ) THEN
Nof = 1
Oxf(1) = 0.
IF ( Wp(2).GT.0. ) THEN
Oxf(1) = Wp(1)/Wp(2)
ELSE
Caseok = .FALSE.
WRITE (IOOUT,99004)
WRITE (IOOUT,99025)
GOTO 400
ENDIF
ELSEIF ( phi.OR.eqrats ) THEN
DO i = 1,Nof
eratio = Oxf(i)
IF ( eqrats ) THEN
xyz = -eratio*Vmin(2) - Vpls(2)
denmtr = eratio*Vmin(1) + Vpls(1)
ELSE
xyz = -Vmin(2) - Vpls(2)
denmtr = eratio*(Vmin(1)+Vpls(1))
ENDIF
IF ( DABS(denmtr).LT.1.D-30 ) THEN
Caseok = .FALSE.
WRITE (IOOUT,99019) eratio
WRITE (IOOUT,99025)
GOTO 400
ENDIF
Oxf(i) = xyz/denmtr
ENDDO
ENDIF
IF ( .NOT.Sp.AND..NOT.Tp.AND..NOT.Hp.AND..NOT.Rkt.AND.
& .NOT.Detn.AND..NOT.Shock ) THEN
Caseok = .FALSE.
WRITE (IOOUT,99020)
ELSEIF ( Tp.AND.T(1).LE.0. ) THEN
Caseok = .FALSE.
WRITE (IOOUT,99021)
ELSEIF ( Np.LE.0 ) THEN
Caseok = .FALSE.
WRITE (IOOUT,99022)
ENDIF
IF ( .NOT.(Caseok.AND.Nlm.GT.0) ) WRITE (IOOUT,99025)
GOTO 400
ELSE
WRITE (IOOUT,99023)
ENDIF
ENDIF
GOTO 100
C PROCESS NUMERICAL DATA FOLLOWING 'PROB' LITERALS
200 in = 0
nmix = 0
ii = iv
DO i = ii,ncin
iv = i
IF ( lcin(i).NE.0 ) THEN
IF ( lcin(i).LT.0 ) THEN
IF ( in.GT.0 ) GOTO 300
in = i
ELSE
IF ( lcin(i).NE.in ) GOTO 300
nmix = nmix + 1
mix(nmix) = dpin(i)
lcin(i) = 0
ENDIF
ENDIF
ENDDO
300 IF ( nmix.LE.0 ) THEN
IF ( iv.LT.ncin ) GOTO 200
GOTO 100
ENDIF
cx15 = cin(in)
cx1 = cx15(:1)
cx2 = cx15(:2)
cx3 = cx15(:3)
cx4 = cx15(:4)
IF ( cx1.EQ.'t' ) THEN
Nt = nmix
IF ( nmix.GT.MAXMIX ) THEN
Nt = MAXMIX
WRITE (IOOUT,99024) 't',Nt
ENDIF
DO i = 1,Nt
IF ( cx4.NE.'tces' ) THEN
T(i) = mix(i)
IF ( lcin(in).LT.-1 ) THEN
IF ( INDEX(cx15,'r').GT.0 ) T(i) = T(i)/1.8D0
IF ( INDEX(cx15,'c').GT.0 ) T(i) = T(i) + 273.15D0
IF ( INDEX(cx15,'f').GT.0 ) T(i) = (T(i)-32.D0)
& /1.8D0 + 273.15D0
ENDIF
ENDIF
ENDDO
ELSEIF ( (cx2.EQ.'pc'.OR.cx2.EQ.'pi').AND.INDEX(cx15(3:15),'p')
& .GT.0.AND.INDEX(cx15,'psi').EQ.0 ) THEN
Npp = nmix
IF ( nmix.GT.2*NCOL ) THEN
Npp = 2*NCOL
WRITE (IOOUT,99024) 'pcp',Npp
ENDIF
DO i = 1,Npp
Pcp(i) = mix(i)
ENDDO
ELSEIF ( cx1.EQ.'p'.AND.cx3.NE.'phi' ) THEN
Np = nmix
IF ( nmix.GT.MAXPV ) THEN
Np = MAXPV
WRITE (IOOUT,99024) 'p',Np
ENDIF
DO 350 i = 1,Np
P(i) = mix(i)
IF ( INDEX(cx15,'psi').NE.0 ) THEN
P(i) = P(i)/14.696006D0
ELSEIF ( INDEX(cx15,'mmh').NE.0 ) THEN
P(i) = P(i)/760.D0
ELSEIF ( INDEX(cx15,'atm').EQ.0 ) THEN
GOTO 350
ENDIF
P(i) = P(i)*1.01325D0
350 CONTINUE
ELSEIF ( cx3.EQ.'rho' ) THEN
xyz = 1.D02
IF ( INDEX(cx15,'kg').NE.0 ) xyz = 1.D05
Np = nmix
IF ( nmix.GT.MAXPV ) THEN
Np = MAXPV
WRITE (IOOUT,99024) 'rho',Np
ENDIF
DO i = 1,Np
V(i) = xyz/mix(i)
ENDDO
ELSEIF ( cx1.EQ.'v' ) THEN
xyz = 1.D02
IF ( INDEX(cx15,'kg').NE.0 ) xyz = 1.D05
Np = nmix
IF ( nmix.GT.MAXPV ) THEN
Np = MAXPV
WRITE (IOOUT,99024) 'v',Np
ENDIF
DO i = 1,Np
V(i) = mix(i)*xyz
ENDDO
ELSEIF ( cx3.EQ.'nfz'.OR.cx3.EQ.'nfr' ) THEN
Nfz = mix(1)
Froz = .TRUE.
ELSEIF ( cx4.EQ.'tces' ) THEN
Tcest = mix(1)
ELSEIF ( cx4.EQ.'trac' ) THEN
Trace = mix(1)
ELSEIF ( cx3.EQ.'s/r' ) THEN
S0 = mix(1)
ELSEIF ( cx3.EQ.'u/r'.OR.cx2.EQ.'ur' ) THEN
ur = mix(1)
ELSEIF ( cx3.EQ.'h/r'.OR.cx2.EQ.'hr' ) THEN
hr = mix(1)
ELSEIF ( cx2.EQ.'u1' ) THEN
Nsk = nmix
IF ( nmix.GT.NCOL ) THEN
Nsk = NCOL
WRITE (IOOUT,99024) 'u1',Nsk
ENDIF
DO i = 1,Nsk
U1(i) = mix(i)
ENDDO
ELSEIF ( cx4.EQ.'mach' ) THEN
Nsk = nmix
IF ( nmix.GT.NCOL ) THEN
Nsk = NCOL
WRITE (IOOUT,99024) 'mach1',Nsk
ENDIF
DO i = 1,Nsk
Mach1(i) = mix(i)
ENDDO
ELSEIF ( cx3.EQ.'sub' ) THEN
Nsub = nmix
IF ( nmix.GT.13 ) THEN
Nsub = 13
WRITE (IOOUT,99024) 'subar',Nsub
ENDIF
DO i = 1,Nsub
Subar(i) = mix(i)
ENDDO
ELSEIF ( cx3.EQ.'sup' ) THEN
Nsup = nmix
IF ( nmix.GT.13 ) THEN
Nsup = 13
WRITE (IOOUT,99024) 'supar',Nsup
ENDIF
DO i = 1,Nsup
Supar(i) = mix(i)
ENDDO
ELSEIF ( cx2.EQ.'ac' ) THEN
Acat = mix(1)
ELSEIF ( cx4.EQ.'mdot'.OR.cx2.EQ.'ma' ) THEN
Ma = mix(1)
ELSEIF ( cx4.EQ.'case' ) THEN
Case = cin(in+1)
lcin(in+1) = 0
ELSEIF ( Nof.EQ.0.AND.
& (cx3.EQ.'phi'.OR.cx3.EQ.'o/f'.OR.cx3.EQ.'f/a'.OR.
& cx2.EQ.'%f'.OR.cx1.EQ.'r') ) THEN
Nof = nmix
IF ( nmix.GT.MAXMIX ) THEN
Nof = MAXMIX
WRITE (IOOUT,99024) 'o/f',Nof
ENDIF
DO k = 1,Nof
Oxf(k) = mix(k)
ENDDO
IF ( cx3.EQ.'phi' ) THEN
phi = .TRUE.
ELSEIF ( cx1.EQ.'r' ) THEN
eqrats = .TRUE.
ELSEIF ( cx3.EQ.'f/a' ) THEN
DO k = 1,Nof
IF ( Oxf(k).GT.0. ) Oxf(k) = 1./Oxf(k)
ENDDO
ELSEIF ( cx4.EQ.'%fue' ) THEN
DO k = 1,Nof
IF ( Oxf(k).GT.0. ) Oxf(k) = (100.-Oxf(k))/Oxf(k)
ENDDO
ENDIF
ELSE
WRITE (IOOUT,99002) cx15
ENDIF
IF ( iv.GE.ncin ) GOTO 100
GOTO 200
400 RETURN
99001 FORMAT (/,/)
99002 FORMAT (' WARNING!! DID NOT RECOGNIZE ',A15,' (INPUT)'/)
99003 FORMAT (/' WARNING!! LITERAL EXPECTED FOR ',A15,'(INPUT)')
99004 FORMAT (/' REACTANT AMOUNT MISSING (INPUT)')
99005 FORMAT (/' MOLES AND WEIGHT PERCENTS SHOULD NOT BE MIXED (INPUT)')
99006 FORMAT (/' REACTANT TEMPERATURE MISSING (INPUT) ')
99007 FORMAT (/' WARNING!! ',A15,' NOT RECOGNIZED (INPUT)')
99008 FORMAT (/' OPTIONS: TP=',L1,' HP=',L1,' SP=',L1,' TV=',L1,
& ' UV=',L1,' SV=',L1,' DETN=',L1,' SHOCK=',L1,
& ' REFL=',L1,' INCD=',L1,/' RKT=',L1,' FROZ=',L1,
& ' EQL=',L1,' IONS=',L1,' SIUNIT=',L1,' DEBUGF=',L1,
& ' SHKDBG=',L1,' DETDBG=',L1,' TRNSPT=',L1)
99009 FORMAT (/' T,K =',7F11.4)
99010 FORMAT (/1p,' TRACE=',E9.2,' S/R=',E13.6,' H/R=',E13.6,' U/R=',
& E13.6)
99011 FORMAT (/' SPECIFIC VOLUME,M**3/KG =',1p,(4E14.7))
99012 FORMAT (/' Pc,BAR =',7F13.6)
99013 FORMAT (/' Pc/P =',9F11.4)
99014 FORMAT (/' SUBSONIC AREA RATIOS =',(5F11.4))
99015 FORMAT (/' SUPERSONIC AREA RATIOS =',(5F11.4))
99016 FORMAT (/' NFZ=',i3,1p,' Mdot/Ac=',e13.6,' Ac/At=',e13.6)
99017 FORMAT (/' P,BAR =',7F13.6)
99018 FORMAT (/' ERROR IN REACTANTS DATASET (INPUT)')
99019 FORMAT (/' UNABLE TO PROCESS EQUIVALENCE RATIO =',E11.4,'(INPUT)')
99020 FORMAT (/' TYPE OF PROBLEM NOT SPECIFIED (INPUT)')
99021 FORMAT (/' ASSIGNED VALUES OF TEMPERATURE ARE MISSING IN prob',
& ' DATASET (INPUT)')
99022 FORMAT (/' ASSIGNED PRESSURE (OR DENSITY) MISSING IN prob',
& ' DATASET (INPUT)')
99023 FORMAT (/' WARNING!! A KEYWORD IS MISSING (INPUT)')
99024 FORMAT (/' NOTE!! MAXIMUM NUMBER OF ASSIGNED ',A5,' VALUES IS',I3,
& ' (INPUT)',/)
99025 FORMAT (/' FATAL ERROR IN DATASET (INPUT)')
END
SUBROUTINE MATRIX
C***********************************************************************
C SET UP ITERATION OR DERIVATIVE MATRIX.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER i,iq,iq2,iq3,isym,j,k,kk,kmat
REAL*8 energyl,f,h,ss,sss,term,term1
SAVE energyl,f,h,i,iq,iq2,iq3,isym,j,k,kk,kmat,ss,sss,term,term1
C
iq = Nlm + Npr
Iq1 = iq + 1
iq2 = Iq1 + 1
iq3 = iq2 + 1
kmat = iq3
IF ( .NOT.Convg.AND.Tp ) kmat = iq2
Imat = kmat - 1
C CLEAR MATRIX STORAGES TO ZERO
DO i = 1,Imat
DO k = 1,kmat
G(i,k) = 0.0D0
ENDDO
ENDDO
G(iq2,Iq1) = 0.D0
sss = 0.D0
Hsum(Npt) = 0.D0
C BEGIN SET-UP OF ITERATION OR DERIVATIVE MATRIX
DO j = 1,Ng
Mu(j) = H0(j) - S(j) + Enln(j) + Tm
IF ( En(j,Npt).NE.0.D0 ) THEN
h = H0(j)*En(j,Npt)
f = Mu(j)*En(j,Npt)
ss = h - f
term1 = h
IF ( kmat.EQ.iq2 ) term1 = f
DO i = 1,Nlm
IF ( A(i,j).NE.0. ) THEN
term = A(i,j)*En(j,Npt)
DO k = i,Nlm
G(i,k) = G(i,k) + A(k,j)*term
ENDDO
G(i,Iq1) = G(i,Iq1) + term
G(i,iq2) = G(i,iq2) + A(i,j)*term1
IF ( .NOT.(Convg.OR.Tp) ) THEN
G(i,iq3) = G(i,iq3) + A(i,j)*f
IF ( Sp ) G(iq2,i) = G(iq2,i) + A(i,j)*ss
ENDIF
ENDIF
ENDDO
IF ( kmat.NE.iq2 ) THEN
IF ( Convg.OR.Hp ) THEN
G(iq2,iq2) = G(iq2,iq2) + H0(j)*h
IF ( .NOT.Convg ) THEN
G(iq2,iq3) = G(iq2,iq3) + H0(j)*f
G(Iq1,iq3) = G(Iq1,iq3) + f
ENDIF
ELSE
G(iq2,Iq1) = G(iq2,Iq1) + ss
G(iq2,iq2) = G(iq2,iq2) + H0(j)*ss
G(iq2,iq3) = G(iq2,iq3) + Mu(j)*ss
G(Iq1,iq3) = G(Iq1,iq3) + f
ENDIF
ENDIF
G(Iq1,iq2) = G(Iq1,iq2) + term1
ENDIF
ENDDO
C CONDENSED SPECIES
IF ( Npr.NE.0 ) THEN
DO k = 1,Npr
j = Jcond(k)
kk = Nlm + k
Mu(j) = H0(j) - S(j)
DO i = 1,Nlm
G(i,kk) = A(i,j)
G(i,kmat) = G(i,kmat) - A(i,j)*En(j,Npt)
ENDDO
G(kk,iq2) = H0(j)
G(kk,kmat) = Mu(j)
Hsum(Npt) = Hsum(Npt) + H0(j)*En(j,Npt)
IF ( Sp ) THEN
sss = sss + S(j)*En(j,Npt)
G(iq2,kk) = S(j)
ENDIF
ENDDO
ENDIF
sss = sss + G(iq2,Iq1)
Hsum(Npt) = Hsum(Npt) + G(Iq1,iq2)
G(Iq1,Iq1) = Sumn - Enn
C REFLECT SYMMETRIC PORTIONS OF THE MATRIX
isym = Iq1
IF ( Hp.OR.Convg ) isym = iq2
DO i = 1,isym
CDIR$ IVDEP
DO j = i,isym
G(j,i) = G(i,j)
ENDDO
ENDDO
C COMPLETE THE RIGHT HAND SIDE
IF ( .NOT.Convg ) THEN
DO i = 1,Nlm
G(i,kmat) = G(i,kmat) + B0(i) - G(i,Iq1)
ENDDO
G(Iq1,kmat) = G(Iq1,kmat) + Enn - Sumn
C COMPLETE ENERGY ROW AND TEMPERATURE COLUMN
IF ( kmat.NE.iq2 ) THEN
IF ( Sp ) energyl = S0 + Enn - Sumn - sss
IF ( Hp ) energyl = Hsub0/Tt - Hsum(Npt)
G(iq2,iq3) = G(iq2,iq3) + energyl
G(iq2,iq2) = G(iq2,iq2) + Cpsum
ENDIF
ELSE
IF ( Pderiv ) THEN
C PDERIV = .TRUE.-- SET UP MATRIX TO SOLVE FOR DLVPT
G(Iq1,iq2) = Enn
DO i = 1,iq
G(i,iq2) = G(i,Iq1)
ENDDO
ENDIF
G(iq2,iq2) = G(iq2,iq2) + Cpsum
ENDIF
IF ( Vol.AND..NOT.Convg ) THEN
C CONSTANT VOLUME MATRIX
IF ( kmat.EQ.iq2 ) THEN
DO i = 1,iq
G(i,Iq1) = G(i,iq2)
ENDDO
ELSE
CDIR$ IVDEP
DO i = 1,iq
G(Iq1,i) = G(iq2,i) - G(Iq1,i)
G(i,Iq1) = G(i,iq2) - G(i,Iq1)
G(i,iq2) = G(i,iq3)
ENDDO
G(Iq1,Iq1) = G(iq2,iq2) - G(Iq1,iq2) - G(iq2,Iq1)
G(Iq1,iq2) = G(iq2,iq3) - G(Iq1,iq3)
IF ( Hp ) G(Iq1,iq2) = G(Iq1,iq2) + Enn
ENDIF
kmat = Imat
Imat = Imat - 1
ENDIF
END
SUBROUTINE NEWOF
C***********************************************************************
C CALCULATE NEW VALUES OF B0 AND HSUB0 FOR NEW OF RATIO
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER i,j
REAL*8 assval,bigb,bratio,dbi,smalb,tem,v1,v2
REAL*8 DABS,DLOG
SAVE assval,bigb,bratio,dbi,i,j,smalb,tem,v1,v2
C
IF ( .NOT.Short ) WRITE (IOOUT,99001) Oxfl
Eqrat = 0.
tem = Oxfl + 1.
v2 = (Oxfl*Vmin(1)+Vmin(2))/tem
v1 = (Oxfl*Vpls(1)+Vpls(2))/tem
IF ( v2.NE.0. ) Eqrat = DABS(v1/v2)
DO i = 1,Nlm
B0(i) = (Oxfl*B0p(i,1)+B0p(i,2))/tem
dbi = DABS(B0(i))
IF ( i.EQ.1 ) THEN
bigb = dbi
smalb = dbi
ELSEIF ( dbi.NE.0. ) THEN
IF ( dbi.LT.smalb ) smalb = dbi
IF ( dbi.GT.bigb ) bigb = dbi
ENDIF
ENDDO
Bcheck = bigb*.000001D0
C CALCUALTE MOLECULAR WEIGHT OF TOTAL REACTANT, WMIX.
IF ( Am(1).NE.0.0.AND.Am(2).NE.0.0 ) THEN
Wmix = (Oxfl+1.)*Am(1)*Am(2)/(Am(1)+Oxfl*Am(2))
ELSE
Wmix = Am(2)
IF ( Am(2).EQ.0.0 ) Wmix = Am(1)
ENDIF
Npt = 1
C IF ASSIGNED U OR H NOT GIVEN IN PROB DATA, INITIAL HSUB0 = 1.D30
IF ( Size.EQ.0. ) assval = Hsub0
IF ( assval.GE.1.D30 ) Hsub0 = (Oxfl*Hpp(1)+Hpp(2))/tem
C NOTE THAT "BRATIO" IS "BRATIO" IN SEC 3.2 IN RP-1311.
bratio = smalb/bigb
Size = 18.420681D0
IF ( bratio.LT.1.D-5 ) Size = DLOG(1000.D0/bratio)
Jsol = 0
Jliq = 0
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99002)
IF ( Vol ) WRITE (IOOUT,99003)
IF ( .NOT.Vol ) WRITE (IOOUT,99004)
WRITE (IOOUT,99005) Hpp(2),Hpp(1),Hsub0
WRITE (IOOUT,99006)
ENDIF
DO i = 1,Nlm
j = Jcm(i)
IF ( .NOT.Short ) WRITE (IOOUT,99007) Prod(j),B0p(i,2),B0p(i,1),
& B0(i)
ENDDO
RETURN
99001 FORMAT (/' O/F = ',F10.6)
99002 FORMAT (/,23X,'EFFECTIVE FUEL',5X,'EFFECTIVE OXIDANT',8X,
& 'MIXTURE')
99003 FORMAT (' INTERNAL ENERGY',11X,'u(2)/R',14X,'u(1)/R',14X,'u0/R')
99004 FORMAT (' ENTHALPY',18X,'h(2)/R',14X,'h(1)/R',15X,'h0/R')
99005 FORMAT (' (KG-MOL)(K)/KG',4X,E18.8,2E20.8)
99006 FORMAT (/' KG-FORM.WT./KG',13X,'bi(2)',15X,'bi(1)',15X,'b0i')
99007 FORMAT (1X,A16,3E20.8)
END
SUBROUTINE OUT1
C***********************************************************************
C OUT1 WRITES REACTANT AND FUEL-OXIDANT RATIO INFORMATION.
C ENTRY OUT2 WRITES THERMODYNAMIC PROPERTIES.
C ENTRY OUT3 WRITES MOLE FRACTIONS.
C ENTRY OUT4 WRITES TRANSPORT PROPERTIES.
C
C NOTE - ROCKET, SHOCK, AND DETON PROBLEMS HAVE ADDITIONAL OUTPUT.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*15 fc,fgi,fh,fp,frh,fs,fu
CHARACTER*4 mamo
INTEGER i,im,ione,j,k,kin,m,mcond,mcondf,mcp,mdvp,mdvt,meq,mfa,
& mg,mgam,mh,mie,mm,mmw,mof,mp,mpf,mph,mpn,mpnf,mrho,ms,
& mson,mt,mvis,mxx(24),n,notuse
INTEGER INDEX
LOGICAL kok
REAL*8 pfactor,pfuel,phi,rho,tem,tra,vnum
SAVE fc,fgi,fh,fp,frh,fs,fu,i,im,ione,j,k,kin,kok,m,
& mamo,mcond,mcondf,mcp,mdvp,mdvt,meq,mfa,mg,mgam,mh,mie,mm,mmw,
& mof,mp,mpf,mph,mpn,mpnf,mrho,ms,mson,mt,mvis,mxx,n,notuse,
& pfactor,pfuel,phi,rho,tem,tra,vnum
C
EQUIVALENCE (mxx(1),mp)
EQUIVALENCE (mxx(2),mt)
EQUIVALENCE (mxx(3),mrho)
EQUIVALENCE (mxx(4),mh)
EQUIVALENCE (mxx(5),mie)
EQUIVALENCE (mxx(6),mg)
EQUIVALENCE (mxx(7),ms)
EQUIVALENCE (mxx(8),mm)
EQUIVALENCE (mxx(9),mcp)
EQUIVALENCE (mxx(10),mgam)
EQUIVALENCE (mxx(11),mson)
EQUIVALENCE (mxx(12),mcond)
EQUIVALENCE (mxx(13),mvis)
EQUIVALENCE (mxx(14),mpn)
EQUIVALENCE (mxx(15),mpf)
EQUIVALENCE (mxx(16),mof)
EQUIVALENCE (mxx(17),mph)
EQUIVALENCE (mxx(18),meq)
EQUIVALENCE (mxx(19),mfa)
EQUIVALENCE (mxx(20),mmw)
EQUIVALENCE (mxx(21),mdvt)
EQUIVALENCE (mxx(22),mdvp)
EQUIVALENCE (mxx(23),mcondf)
EQUIVALENCE (mxx(24),mpnf)
WRITE (IOOUT,99001) Case
IF ( Moles ) THEN
WRITE (IOOUT,99002) ' MOLES '
IF ( .NOT.Siunit ) WRITE (IOOUT,99003)
IF ( Siunit ) WRITE (IOOUT,99004)
ELSE
WRITE (IOOUT,99002) 'WT FRACTION'
IF ( .NOT.Siunit ) WRITE (IOOUT,99005)
IF ( Siunit ) WRITE (IOOUT,99006)
ENDIF
DO n = 1,Nreac
WRITE (IOOUT,99007) Fox(n),Rname(n),Pecwt(n),Enth(n)*R,Rtemp(n)
ENDDO
phi = 0.
tem = (Vpls(1)+Vmin(1))*Oxfl
IF ( ABS(tem).GE.1.D-3 ) phi = -(Vmin(2)+Vpls(2))/tem
IF ( Fox(1).EQ.'NAME' ) THEN
pfuel = 0.
ELSE
pfuel = 100.D0/(1.D0+Oxfl)
ENDIF
IF ( Rh(1).NE.0..OR.Rh(2).NE.0. ) THEN
IF ( Rh(1).EQ.0..OR.Rh(2).EQ.0. ) THEN
rho = MAX(Rh(1),Rh(2))
ELSE
rho = (Oxfl+1.)*Rh(1)*Rh(2)/(Rh(1)+Oxfl*Rh(2))
ENDIF
IF ( Siunit ) THEN
rho = rho*1000.D0
WRITE (IOOUT,99021) rho
ELSE
WRITE (IOOUT,99022) rho
ENDIF
ENDIF
WRITE (IOOUT,99008) Oxfl,pfuel,Eqrat,phi
RETURN
C***********************************************************************
ENTRY OUT2
ione = 0
IF ( Rkt.AND..NOT.Page1 ) THEN
ione = 2
IF ( Iopt.NE.0 ) ione = 3
ENDIF
C SET MXX ARRAY FOR PLOTTING PARAMETERS
DO i = 1,24
mxx(i) = 0
ENDDO
DO 100 i = 1,Nplt
IF ( INDEX(Pltvar(i)(2:),'1').EQ.0 ) THEN
IF ( INDEX(Pltvar(i)(1:),'dlnt').NE.0 ) THEN
mdvt = i
ELSEIF ( INDEX(Pltvar(i)(1:),'dlnp').NE.0 ) THEN
mdvp = i
ELSEIF ( Pltvar(i)(:4).EQ.'pran' ) THEN
IF ( INDEX(Pltvar(i)(3:),'fz').NE.0 .OR.
& INDEX(Pltvar(i)(3:),'fr').NE.0 ) THEN
mpnf = i
ELSE
mpn = i
ENDIF
ELSEIF ( Pltvar(i)(:4).EQ.'cond' ) THEN
IF ( INDEX(Pltvar(i)(3:),'fz').NE.0 .OR.
& INDEX(Pltvar(i)(3:),'fr').NE.0 ) THEN
mcondf = i
ELSE
mcond = i
ENDIF
ELSEIF ( Pltvar(i)(:3).EQ.'phi' ) THEN
mph = i
ELSEIF ( Pltvar(i)(:2).EQ.'p ' ) THEN
mp = i
ELSEIF ( Pltvar(i)(:1).EQ.'t' ) THEN
mt = i
ELSEIF ( Pltvar(i)(:3).EQ.'rho' ) THEN
mrho = i
ELSEIF ( Pltvar(i)(:1).EQ.'h' ) THEN
mh = i
ELSEIF ( Pltvar(i)(:1).EQ.'u' ) THEN
mie = i
ELSEIF ( Pltvar(i)(:3).EQ.'gam' ) THEN
mgam = i
ELSEIF ( Pltvar(i)(:3).EQ.'son' ) THEN
mson = i
ELSEIF ( Pltvar(i)(:2).EQ.'g ' ) THEN
mg = i
ELSEIF ( Pltvar(i)(:2).EQ.'s ' ) THEN
ms = i
ELSEIF ( Pltvar(i)(:1).EQ.'m'.AND.Pltvar(i)(:2).NE.'ma' ) THEN
IF ( .NOT.Gonly.AND.Pltvar(i)(:2).EQ.'mw' ) THEN
mmw = i
ELSE
mm = i
ENDIF
ELSEIF ( Pltvar(i)(:2).EQ.'cp' ) THEN
mcp = i
ELSEIF ( Pltvar(i)(:3).EQ.'vis' ) THEN
mvis = i
ELSEIF ( Pltvar(i)(:3).EQ.'o/f' ) THEN
mof = i
ELSEIF ( Pltvar(i)(:2).EQ.'%f' ) THEN
mpf = i
ELSEIF ( Pltvar(i)(:3).EQ.'f/a' ) THEN
mfa = i
ELSEIF ( Pltvar(i)(:1).EQ.'r' ) THEN
meq = i
ENDIF
ENDIF
100 CONTINUE
DO i = Iplt + 1,Iplt + Npt
IF ( mof.GT.0 ) Pltout(i,mof) = Oxfl
IF ( mpf.GT.0 ) Pltout(i,mpf) = pfuel
IF ( mph.GT.0 ) Pltout(i,mph) = phi
IF ( mfa.GT.0 ) Pltout(i,mfa) = 1.D0/Oxfl
IF ( meq.GT.0 ) Pltout(i,meq) = Eqrat
ENDDO
IF ( Siunit ) THEN
pfactor = 1.D0
fp = 'P, BAR'
vnum = 1.D05
frh = 'RHO, KG/CU M'
fh = 'H, KJ/KG'
fu = 'U, KJ/KG'
fgi = 'G, KJ/KG'
fs = 'S, KJ/(KG)(K)'
fc = 'Cp, KJ/(KG)(K)'
ELSE
pfactor = 1.D0/1.01325D0
fp = 'P, ATM'
vnum = 100.D0
frh = 'RHO, G/CC'
fh = 'H, CAL/G'
fu = 'U, CAL/G'
fgi = 'G, CAL/G'
fs = 'S, CAL/(G)(K)'
fc = 'Cp, CAL/(G)(K)'
ENDIF
Fmt(4) = Fmt(6)
C PRESSURE
CALL VARFMT(Ppp)
DO i = 1,Npt
X(i) = Ppp(i)*pfactor
IF ( Nplt.NE.0.AND.i.GT.ione ) THEN
IF ( mp.GT.0 ) Pltout(i+Iplt-ione,mp) = X(i)
IF ( mt.GT.0 ) Pltout(i+Iplt-ione,mt) = Ttt(i)
ENDIF
ENDDO
WRITE (IOOUT,Fmt) fp,(X(j),j=1,Npt)
C TEMPERATURE
Fmt(4) = '13'
Fmt(5) = ' '
Fmt(7) = '2,'
WRITE (IOOUT,Fmt) 'T, K ',(Ttt(j),j=1,Npt)
C DENSITY
DO i = 1,Npt
IF ( Vlm(i).NE.0. ) X(i) = vnum/Vlm(i)
IF ( Nplt.NE.0.AND.i.GT.ione.AND.mrho.GT.0 )
& Pltout(i+Iplt-ione,mrho) = X(i)
ENDDO
CALL EFMT(Fmt(4),frh,X)
C ENTHALPY
DO i = 1,Npt
X(i) = Hsum(i)*R
IF ( Nplt.NE.0.AND.i.GT.ione.AND.mh.GT.0 )
& Pltout(i+Iplt-ione,mh) = X(i)
ENDDO
Fmt(4) = Fmt(6)
CALL VARFMT(X)
WRITE (IOOUT,Fmt) fh,(X(j),j=1,Npt)
C INTERNAL ENERGY
DO i = 1,Npt
X(i) = (Hsum(i)-Ppp(i)*Vlm(i)/Rr)*R
IF ( Nplt.NE.0.AND.i.GT.ione.AND.mie.GT.0 )
& Pltout(i+Iplt-ione,mie) = X(i)
ENDDO
CALL VARFMT(X)
WRITE (IOOUT,Fmt) fu,(X(j),j=1,Npt)
C GIBBS ENERGY
DO i = 1,Npt
X(i) = (Hsum(i)-Ttt(i)*Ssum(i))*R
IF ( Nplt.NE.0.AND.i.GT.ione ) THEN
IF ( mg.GT.0 ) Pltout(i+Iplt-ione,mg) = X(i)
IF ( mm.GT.0 ) Pltout(i+Iplt-ione,mm) = Wm(i)
IF ( mmw.GT.0 ) Pltout(i+Iplt-ione,mmw) = 1.D0/Totn(i)
IF ( ms.GT.0 ) Pltout(i+Iplt-ione,ms) = Ssum(i)*R
IF ( mcp.GT.0 ) Pltout(i+Iplt-ione,mcp) = Cpr(i)*R
IF ( mgam.GT.0 ) Pltout(i+Iplt-ione,mgam) = Gammas(i)
IF ( mdvt.GT.0 ) Pltout(i+Iplt-ione,mdvt) = Dlvtp(i)
IF ( mdvp.GT.0 ) Pltout(i+Iplt-ione,mdvp) = Dlvpt(i)
ENDIF
ENDDO
CALL VARFMT(X)
WRITE (IOOUT,Fmt) fgi,(X(j),j=1,Npt)
C ENTROPY
Fmt(4) = '13'
Fmt(5) = ' '
Fmt(7) = '4,'
WRITE (IOOUT,Fmt) fs,(Ssum(j)*R,j=1,Npt)
WRITE (IOOUT,99009)
C MOLECULAR WEIGHT
Fmt(7) = '3,'
WRITE (IOOUT,Fmt) 'M, (1/n) ',(Wm(j),j=1,Npt)
IF ( .NOT.Gonly ) WRITE (IOOUT,Fmt) 'MW, MOL WT ',
& (1.D0/Totn(j),j=1,Npt)
C (DLV/DLP)T
Fmt(7) = '5,'
IF ( Eql ) WRITE (IOOUT,Fmt) '(dLV/dLP)t ',(Dlvpt(j),j=1,Npt)
C (DLV/DLT)P
Fmt(7) = '4,'
IF ( Eql ) WRITE (IOOUT,Fmt) '(dLV/dLT)p ',(Dlvtp(j),j=1,Npt)
C HEAT CAPACITY
WRITE (IOOUT,Fmt) fc,(Cpr(j)*R,j=1,Npt)
C GAMMA(S)
Fmt(7) = '4,'
WRITE (IOOUT,Fmt) 'GAMMAs ',(Gammas(j),j=1,Npt)
C SONIC VELOCITY
Fmt(7) = '1,'
DO i = 1,Npt
Sonvel(i) = (Rr*Gammas(i)*Ttt(i)/Wm(i))**.5
IF ( Nplt.NE.0.AND.i.GT.ione.AND.mson.GT.0 )
& Pltout(i+Iplt-ione,mson) = Sonvel(i)
ENDDO
WRITE (IOOUT,Fmt) 'SON VEL,M/SEC ',(Sonvel(j),j=1,Npt)
RETURN
C***********************************************************************
ENTRY OUT3
tra = 5.D-6
IF ( Trace.NE.0. ) tra = Trace
C MASS OR MOLE FRACTIONS
IF ( Massf ) THEN
mamo = 'MASS'
ELSE
mamo = 'MOLE'
ENDIF
IF ( Eql ) THEN
WRITE (IOOUT,99010) mamo
notuse = 0
DO k = 1,Ngc
kok = .TRUE.
IF ( k.GT.Ng.AND.k.LT.Ngc.AND.Prod(k).EQ.Prod(k+1) ) THEN
kok = .FALSE.
im = 0
GOTO 120
ENDIF
DO m = 1,Nplt
im = 0
IF ( Pltvar(m).EQ.Prod(k).OR.'*'//Pltvar(m).EQ.Prod(k) )
& THEN
im = m
GOTO 120
ENDIF
ENDDO
120 kin = 0
DO i = 1,Npt
IF ( Massf ) THEN
tem = Mw(k)
ELSE
tem = 1.D0/Totn(i)
ENDIF
IF ( k.LE.Ng ) THEN
X(i) = En(k,i)*tem
ELSE
IF ( Prod(k).NE.Prod(k-1) ) X(i) = 0.D0
IF ( En(k,i).GT.0.D0 ) X(i) = En(k,i)*tem
ENDIF
IF ( Nplt.NE.0.AND.i.GT.ione.AND.im.GT.0 )
& Pltout(i+Iplt-ione,im) = X(i)
IF ( kok.AND.X(i).GE.tra ) kin = 1
ENDDO
IF ( kin.EQ.1 ) THEN
IF ( Trace.EQ.0. ) THEN
WRITE (IOOUT,99011) Prod(k),(X(i),i=1,Npt)
ELSE
CALL EFMT(Fmt(4),Prod(k),X)
ENDIF
IF ( Prod(k).EQ.Omit(notuse) ) notuse = notuse - 1
ELSEIF ( Prod(k).NE.Prod(k-1) ) THEN
notuse = notuse + 1
Omit(notuse) = Prod(k)
ENDIF
ENDDO
ENDIF
WRITE (IOOUT,99012) Tg(4)
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99013) mamo,tra
WRITE (IOOUT,99014) (Omit(i),i=1,notuse)
ENDIF
IF ( .NOT.Moles ) WRITE (IOOUT,99015)
GOTO 200
C***********************************************************************
ENTRY OUT4
WRITE (IOOUT,99009)
WRITE (IOOUT,99016)
IF ( Siunit ) THEN
WRITE (IOOUT,99018)
ELSE
WRITE (IOOUT,99017)
ENDIF
C TRANSPORT PROPERTIES
Fmt(4) = Fmt(6)
IF ( Nplt.GT.0 ) THEN
DO i = 1,Npt
IF ( i.GT.ione ) THEN
IF ( mvis.GT.0 ) Pltout(i+Iplt-ione,mvis) = Vis(i)
IF ( mcond.GT.0 ) Pltout(i+Iplt-ione,mcond) = Coneql(i)
IF ( mpn.GT.0 ) Pltout(i+Iplt-ione,mpn) = Preql(i)
IF ( mcondf.GT.0 ) Pltout(i+Iplt-ione,mcondf) = Confro(i)
IF ( mpnf.GT.0 ) Pltout(i+Iplt-ione,mpnf) = Prfro(i)
ENDIF
ENDDO
ENDIF
CALL VARFMT(Vis)
WRITE (IOOUT,Fmt) 'VISC,MILLIPOISE',(Vis(j),j=1,Npt)
Fmt(4) = '13'
Fmt(5) = ' '
Fmt(7) = '4,'
IF ( Eql ) THEN
WRITE (IOOUT,99019)
C SPECIFIC HEAT
WRITE (IOOUT,Fmt) fc,(Cpeql(j),j=1,Npt)
C CONDUCTIVITY
WRITE (IOOUT,Fmt) 'CONDUCTIVITY ',(Coneql(j),j=1,Npt)
C PRANDTL NUMBER
WRITE (IOOUT,Fmt) 'PRANDTL NUMBER ',(Preql(j),j=1,Npt)
ENDIF
WRITE (IOOUT,99020)
C SPECIFIC HEAT
WRITE (IOOUT,Fmt) fc,(Cpfro(j),j=1,Npt)
C CONDUCTIVITY
WRITE (IOOUT,Fmt) 'CONDUCTIVITY ',(Confro(j),j=1,Npt)
C PRANDTL NUMBER
WRITE (IOOUT,Fmt) 'PRANDTL NUMBER ',(Prfro(j),j=1,Npt)
200 RETURN
99001 FORMAT (' CASE = ',a15)
99002 FORMAT (/13X,'REACTANT',20x,a11,' ENERGY',6x,'TEMP')
99003 FORMAT (57X,' CAL/MOL ',6x,'K')
99004 FORMAT (57X,'KJ/KG-MOL',6x,'K')
99005 FORMAT (42X,'(SEE NOTE) CAL/MOL K ')
99006 FORMAT (42X,'(SEE NOTE) KJ/KG-MOL K ')
99007 FORMAT (1x,a8,4x,a15,11x,f12.7,f14.3,f11.3)
99008 FORMAT (/' O/F=',F11.5,2X,'%FUEL=',F10.6,2X,'R,EQ.RATIO=',F9.6,2X,
& 'PHI,EQ.RATIO=',F9.6)
99009 FORMAT ()
99010 FORMAT (/1x,A4,' FRACTIONS'/)
99011 FORMAT (1x,A15,F9.5,12F9.5)
99012 FORMAT (/' * THERMODYNAMIC PROPERTIES FITTED TO',F7.0,'K')
99013 FORMAT (/' PRODUCTS WHICH WERE CONSIDERED BUT WHOSE ',A4,
& ' FRACTIONS',/' WERE LESS THAN',1PE13.6,
& ' FOR ALL ASSIGNED CONDITIONS'/)
99014 FORMAT (5(1x,A15))
99015 FORMAT (/' NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF',
& ' OXIDANT IN TOTAL OXIDANTS')
99016 FORMAT (' TRANSPORT PROPERTIES (GASES ONLY)')
99017 FORMAT (' CONDUCTIVITY IN UNITS OF MILLICALORIES/(CM)(K)(SEC)'/)
99018 FORMAT (' CONDUCTIVITY IN UNITS OF MILLIWATTS/(CM)(K)'/)
99019 FORMAT (/' WITH EQUILIBRIUM REACTIONS'/)
99020 FORMAT (/' WITH FROZEN REACTIONS'/)
99021 FORMAT (/' REACTANT DENSITY=',F8.2,' KG/CU M')
99022 FORMAT (/' REACTANT DENSITY=',F8.4,' G/CC')
END
SUBROUTINE REACT
C***********************************************************************
C READ AND PROCESS REACTANT RECORDS. CALLED FROM SUBROUTINE INPUT.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*6 date
CHARACTER*2 el(5)
CHARACTER*15 sub
INTEGER i,icf,ifaz,ifrmla,itot,j,jj,k,kk,kr,l,n,nall,nint,nj,
& ntgas,ntot
LOGICAL fuel,rcoefs,wdone(2),hok
REAL*8 bb(5),dat(35),dift,eform,pcwt,rcf(9,3),rm,t1,t2
REAL*8 DABS,DLOG,t1save,t2save
SAVE bb,dat,date,dift,eform,el,fuel,i,icf,ifaz,ifrmla,itot,j,jj,k,
& kk,kr,l,n,nall,nint,nj,ntgas,ntot,pcwt,rcf,rcoefs,rm,sub,t1,t2,
& wdone
C
DO k = 1,2
wdone(k) = .FALSE.
Wp(k) = 0.
Hpp(k) = 0.
Vpls(k) = 0.
Vmin(k) = 0.
Am(k) = 0.
Rh(k) = 0.
DO j = 1,MAXEL
Elmt(j) = ' '
B0p(j,k) = 0.
ENDDO
ENDDO
DO i = 1,MAXEL
dat(i) = 0.
ENDDO
C IF OXIDANT, KR = 1
C IF FUEL, KR = 2
DO n = 1,Nreac
hok = .false.
t1save = 20000.d0
t2save = 0.d0
rcoefs = .TRUE.
IF ( Energy(n).EQ.'lib'.OR.Rnum(n,1).EQ.0. ) THEN
Tt = Rtemp(n)
REWIND IOTHM
READ (IOTHM) Tg,ntgas,ntot,nall
DO 20 itot = 1,nall
IF ( itot.LE.ntot ) THEN
icf = 3
IF ( itot.GT.ntgas ) icf = 1
READ (IOTHM) sub,nint,date,(el(j),bb(j),j=1,5),ifaz,t1,t2,
& rm,((rcf(i,j),i=1,9),j=1,icf)
ELSE
READ (IOTHM) sub,nint,date,(el(j),bb(j),j=1,5),ifaz,t1,t2,
& rm,eform
IF ( nint.GT.0 ) READ (IOTHM) ((rcf(i,j),i=1,9),j=1,nint)
ENDIF
IF ( sub.EQ.Rname(n).OR.sub.EQ.'*'//Rname(n) ) THEN
IF ( nint.EQ.0 ) THEN
rcoefs = .FALSE.
hok = .true.
Enth(n) = eform*1000.D0/Rr
IF ( Tt.EQ.0 ) THEN
Tt = t1
Rtemp(n) = t1
ELSE
dift = DABS(Tt-t1)
IF ( dift.GT.01d0 ) THEN
IF ( dift.GT.10.d0 ) THEN
WRITE (IOOUT,99001) Rname(n),t1,Tt
Nlm = 0
hok = .false.
GOTO 200
ELSE
WRITE (IOOUT,99002) Rname(n),t1,Tt
Tt = t1
Rtemp(n) = t1
ENDIF
ENDIF
ENDIF
ELSE
if (ifaz.LE.0 ) then
t1save = min(t1save,.8d0*tg(1))
t2save = max(t2save,1.2d0*t2)
else
t1save = min(t1save,t1-.001d0)
t2save = max(t2save,t2+.001d0)
endif
if ( t1save .lt.Tt .and. t2save.gt.Tt ) hok = .true.
ENDIF
DO j = 1,5
IF ( bb(j).EQ.0. ) GOTO 5
Nfla(n) = j
Ratom(n,j) = el(j)
Rnum(n,j) = bb(j)
ENDDO
5 IF ( Tt.EQ.0. ) THEN
IF ( .NOT.Hp ) GOTO 50
WRITE (IOOUT,99004) n
Nlm = 0
GOTO 200
ENDIF
IF ( rcoefs.and.hok ) THEN
Tln = DLOG(Tt)
l = 1
IF ( ifaz.LE.0 ) THEN
IF ( Tt.GT.Tg(2) ) l = 2
IF ( Tt.GT.Tg(3) ) l = 3
ENDIF
Enth(n) = (((((rcf(7,l)/5.D0)*Tt+rcf(6,l)/4.D0)*Tt+rcf(5
& ,l)/3.D0)*Tt+rcf(4,l)/2.D0)*Tt+rcf(3,l))
& *Tt - rcf(1,l)/Tt + rcf(2,l)*Tln + rcf(8,l)
IF ( Vol.AND.ifaz.LE.0 ) Enth(n) = Enth(n) - Tt
ENDIF
if (hok) GOTO 50
ENDIF
20 CONTINUE
if (.not.hok) then
WRITE (IOOUT,99010) Tt,Rname(n),t1save,t2save
Energy(n) = ' '
Nlm = 0
goto 200
endif
ENDIF
50 ifrmla = Nfla(n)
IF ( Fox(n)(:1).EQ.'f' ) THEN
fuel = .TRUE.
kr = 2
Fox(n) = 'FUEL'
ELSEIF ( Fox(n)(:4).EQ.'name' ) THEN
fuel = .TRUE.
kr = 2
Fox(n) = 'NAME'
ELSE
kr = 1
Fox(n) = 'OXIDANT'
ENDIF
DO j = 1,MAXEL
dat(j) = 0.
ENDDO
C STORE ATOMIC SYMBOLS IN ELMT ARRAY.
C CALCULATE MOLECULAR WEIGHT.
C TEMPORARILY STORE ATOMIC VALENCE IN X.
rm = 0.D0
DO 100 jj = 1,ifrmla
DO j = 1,MAXEL
nj = j
IF ( Elmt(j).EQ.' ' ) GOTO 60
IF ( Ratom(n,jj).EQ.Elmt(j) ) GOTO 80
ENDDO
60 Nlm = nj
Elmt(j) = Ratom(n,jj)
80 DO kk = 1,100
IF ( Symbol(kk).EQ.Ratom(n,jj) ) THEN
rm = rm + Rnum(n,jj)*Atmwt(kk)
Atwt(j) = Atmwt(kk)
X(j) = Valnce(kk)
dat(j) = dat(j) + Rnum(n,jj)
GOTO 100
ENDIF
ENDDO
WRITE (IOOUT,99005) Ratom(n,jj)
Nlm = 0
GOTO 200
100 CONTINUE
IF ( Pecwt(n).LT.0. ) THEN
Pecwt(n) = 0.
IF ( .NOT.Moles.AND..NOT.wdone(kr) ) THEN
wdone(kr) = .TRUE.
Pecwt(n) = 100.
WRITE (IOOUT,99006) n
ELSE
WRITE (IOOUT,99007) n
Nlm = 0
GOTO 200
ENDIF
ENDIF
C ADD CONTRIBUTIONS TO WP(K), HPP(K), AM(K), AND B0P(I,K)
IF ( Pecwt(n).GT.0. ) wdone(kr) = .TRUE.
pcwt = Pecwt(n)
IF ( Moles ) pcwt = pcwt*rm
Wp(kr) = Wp(kr) + pcwt
IF ( rm.LE.0.D0 ) THEN
Nlm = 0
GOTO 200
ELSE
Hpp(kr) = Hpp(kr) + Enth(n)*pcwt/rm
Am(kr) = Am(kr) + pcwt/rm
IF ( Dens(n).NE.0. ) THEN
Rh(kr) = Rh(kr) + pcwt/Dens(n)
ELSE
Rh(1) = 0.
Rh(2) = 0.
ENDIF
DO j = 1,Nlm
B0p(j,kr) = dat(j)*pcwt/rm + B0p(j,kr)
ENDDO
Rmw(n) = rm
ENDIF
ENDDO
IF ( .NOT.fuel ) THEN
C 100 PERCENT OXIDANT, SWITCH INDICES
DO n = 1,Nreac
Fox(n) = ' '
ENDDO
Wp(2) = Wp(1)
Wp(1) = 0.
Hpp(2) = Hpp(1)
Am(2) = Am(1)
Am(1) = 0.
DO j = 1,Nlm
B0p(j,2) = B0p(j,1)
ENDDO
ENDIF
IF ( Nlm.NE.0 ) THEN
C NORMALIZE HPP(KKR),AM(KR),B0P(I,KR), AND PECWT(N).
C CALCULATE V+(KR), AND V-(KR)
DO kr = 1,2
IF ( Wp(kr).NE.0. ) THEN
Hpp(kr) = Hpp(kr)/Wp(kr)
Am(kr) = Wp(kr)/Am(kr)
IF ( Rh(kr).NE.0. ) Rh(kr) = Wp(kr)/Rh(kr)
DO j = 1,Nlm
B0p(j,kr) = B0p(j,kr)/Wp(kr)
IF ( X(j).LT.0. ) Vmin(kr) = Vmin(kr) + B0p(j,kr)*X(j)
IF ( X(j).GT.0. ) Vpls(kr) = Vpls(kr) + B0p(j,kr)*X(j)
ENDDO
IF ( .NOT.Moles ) THEN
DO n = 1,Nreac
IF ( Fox(n)(:1).NE.'O'.OR.kr.NE.2 ) THEN
IF ( Fox(n)(:1).EQ.'O'.OR.kr.NE.1 ) Pecwt(n)
& = Pecwt(n)/Wp(kr)
ENDIF
ENDDO
ENDIF
ENDIF
ENDDO
IF ( .NOT.Short ) THEN
IF ( Moles ) THEN
WRITE (IOOUT,99008) ' MOLES '
ELSE
WRITE (IOOUT,99008) 'WT.FRAC'
ENDIF
DO n = 1,Nreac
WRITE (IOOUT,99009) Fox(n),Rname(n),Pecwt(n),Enth(n),
& Rtemp(n),Dens(n),(Ratom(n,i),Rnum(n,i),i=1,Nfla(n))
ENDDO
ENDIF
ENDIF
200 RETURN
99001 FORMAT (/' REACTANT ',A15,'HAS BEEN DEFINED FOR THE TEMPERATURE',
& F8.2,'K ONLY.'/' YOUR TEMPERATURE ASSIGNMENT',F8.2,
& ' IS MORE THAN 10 K FROM THIS VALUE. (REACT)')
99002 FORMAT (/' NOTE! REACTANT ',A15,'HAS BEEN DEFINED FOR ',
& 'TEMPERATURE',F8.2,'K ONLY.'/' YOUR TEMPERATURE ASSIGNMENT',
& F8.2,' IS NOT = BUT <10 K FROM THIS VALUE. (REACT)')
99003 FORMAT (/' NOTE: ',A15,' IS EITHER NOT IN thermo.lib OR THE',
& ' TEMPERATURE ',/,
& ' IS OUT OF RANGE FOR THIS SPECIES (REACT)')
99004 FORMAT (/' TEMPERATURE MISSING FOR REACTANT NO.',I2,'(REACT)')
99005 FORMAT (/1x,a2,' NOT FOUND IN BLOCKDATA (REACT)')
99006 FORMAT (/' WARNING!! AMOUNT MISSING FOR REACTANT',I3,'.',
& /' PROGRAM SETS WEIGHT PERCENT = 100. (REACT)')
99007 FORMAT (/' AMOUNT MISSING FOR REACTANT NO.',I2,'(REACT)')
99008 FORMAT (/4x,'REACTANT',10x,A7,3X,'(ENERGY/R),K',3X,
& 'TEMP,K DENSITY'/,8x,'EXPLODED FORMULA')
99009 FORMAT (1x,a1,': ',a15,f10.6,e15.6,f9.2,f8.4,/8x,5(2x,a2,f8.5))
99010 FORMAT (/' YOUR ASSIGNED TEMPERATURE',F8.2,'K FOR ',A15,/,
& 'IS OUTSIDE ITS TEMPERATURE RANGE',F8.2,' TO',F9.2,'K (REACT)')
END
SUBROUTINE RKTOUT
C***********************************************************************
C SPECIAL OUTPUT FOR ROCKET PROBLEMS.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*4 exit(11)
CHARACTER*15 fi,fiv,fr,z(4)
INTEGER i,i23,i46,i57,i68,i79,ione,ixfr,ixfz,j,k,line,ln,mae,mcf,
& misp,mivac,mmach,mppf,mppj,mxx(8),nex
INTEGER INDEX
REAL*8 agv,aw,gc,tem,tra,vaci(NCOL),ww
SAVE agv,aw,fi,fiv,fr,gc,i,i23,i46,i57,i68,i79,ione,ixfr,ixfz,j,k,
& line,ln,mae,mcf,misp,mivac,mmach,mppf,mppj,mxx,nex,tem,tra,vaci,
& ww,z
C
EQUIVALENCE (mxx(1),mppf)
EQUIVALENCE (mxx(2),mppj)
EQUIVALENCE (mxx(3),mmach)
EQUIVALENCE (mxx(4),mae)
EQUIVALENCE (mxx(5),mcf)
EQUIVALENCE (mxx(6),mivac)
EQUIVALENCE (mxx(7),misp)
DATA exit/11*'EXIT'/
IF ( .NOT.Eql ) THEN
WRITE (IOOUT,99004)
IF ( Nfz.GT.1 ) WRITE (IOOUT,99005) Nfz
ELSE
WRITE (IOOUT,99001)
IF ( Iopt.NE.0 ) WRITE (IOOUT,99002)
IF ( Iopt.EQ.0 ) WRITE (IOOUT,99003)
ENDIF
IF ( Ttt(1).EQ.T(It) ) WRITE (IOOUT,99006)
tem = Ppp(1)*14.696006D0/1.01325D0
WRITE (IOOUT,99009) 'Pin',tem
i23 = 2
IF ( Iopt.GT.0 ) THEN
IF ( Iopt.EQ.1 ) WRITE (IOOUT,99007) Subar(1),App(2)
IF ( Iopt.EQ.2 ) WRITE (IOOUT,99008) Ma,App(2)
i23 = 3
ENDIF
CALL OUT1
Fmt(4) = Fmt(6)
nex = Npt - 2
IF ( Page1 ) THEN
ione = 0
i46 = 4
i57 = 5
i68 = 6
i79 = 7
ELSE
ione = i23
ENDIF
C PRESSURE RATIOS
IF ( Iopt.EQ.0 ) THEN
WRITE (IOOUT,99011) (exit(i),i=1,nex)
CALL VARFMT(App)
WRITE (IOOUT,Fmt) 'Pinf/P ',(App(j),j=1,Npt)
ELSE
nex = nex - 1
WRITE (IOOUT,99010) (exit(i),i=1,nex)
X(1) = 1.D0
DO i = 2,Npt
X(i) = Ppp(1)/Ppp(i)
ENDDO
CALL VARFMT(X)
WRITE (IOOUT,Fmt) 'Pinj/P ',(X(i),i=1,Npt)
ENDIF
CALL OUT2
DO i = 1,8
mxx(i) = 0
ENDDO
DO 100 i = 1,Nplt
ixfz = INDEX(Pltvar(i)(2:),'fz')
ixfr = INDEX(Pltvar(i)(2:),'fr')
IF ( ixfz.NE.0.OR.ixfr.NE.0 ) THEN
IF ( Eql ) GOTO 100
ELSEIF ( .NOT.Eql ) THEN
GOTO 100
ENDIF
IF ( Pltvar(i)(:4).EQ.'pi/p'.OR.Pltvar(i)(:3).EQ.'pip' ) THEN
IF ( Iopt.EQ.0 ) mppf = i
IF ( Iopt.NE.0 ) mppj = i
ELSEIF ( Pltvar(i)(:4).EQ.'mach' ) THEN
mmach = i
ELSEIF ( Pltvar(i)(:2).EQ.'ae' ) THEN
mae = i
ELSEIF ( Pltvar(i)(:2).EQ.'cf' ) THEN
mcf = i
ELSEIF ( Pltvar(i)(:4).EQ.'ivac' ) THEN
mivac = i
ELSEIF ( Pltvar(i)(:3).EQ.'isp' ) THEN
misp = i
ENDIF
100 CONTINUE
IF ( Siunit ) THEN
agv = 1.
gc = 1.
fr = 'CSTAR, M/SEC'
fiv = 'Ivac, M/SEC'
fi = 'Isp, M/SEC'
ELSE
gc = 32.174
agv = 9.80665
fr = 'CSTAR, FT/SEC'
fiv = 'Ivac,LB-SEC/LB'
fi = 'Isp, LB-SEC/LB'
ENDIF
DO k = 2,Npt
Spim(k) = (2.*Rr*(Hsum(1)-Hsum(k)))**.5/agv
C AW IS THE LEFT SIDE OF EQ.(6.12) IN RP-1311,PT I.
aw = Rr*Ttt(k)/(Ppp(k)*Wm(k)*Spim(k)*agv**2)
IF ( k.EQ.i23 ) THEN
IF ( Iopt.EQ.0 ) Cstr = gc*Ppp(1)*aw
IF ( Iopt.NE.0 ) Cstr = gc*Ppp(1)/App(2)*aw
ENDIF
vaci(k) = Spim(k) + Ppp(k)*aw
Vmoc(k) = 0.
IF ( Sonvel(k).NE.0. ) Vmoc(k) = Spim(k)*agv/Sonvel(k)
ENDDO
C MACH NUMBER
Vmoc(1) = 0.
IF ( Gammas(i23).EQ.0. ) Vmoc(i23) = 0.
Fmt(7) = '3,'
WRITE (IOOUT,Fmt) 'MACH NUMBER ',(Vmoc(j),j=1,Npt)
IF ( Trnspt ) CALL OUT4
WRITE (IOOUT,99013)
C AREA RATIO
Fmt(4) = '9x,'
Fmt(i46) = '9x,'
CALL VARFMT(Aeat)
Fmt(5) = ' '
Fmt(i57) = ' '
WRITE (IOOUT,Fmt) 'Ae/At ',(Aeat(j),j=2,Npt)
C C*
Fmt(i57) = '13'
Fmt(i68) = Fmt(i68+2)
Fmt(i79) = '1,'
WRITE (IOOUT,Fmt) fr,(Cstr,j=2,Npt)
C CF - THRUST COEFICIENT
Fmt(i79) = '4,'
DO i = 2,Npt
X(i) = gc*Spim(i)/Cstr
ENDDO
WRITE (IOOUT,Fmt) 'CF ',(X(j),j=2,Npt)
C VACUUM IMPULSE
Fmt(i57) = '13'
Fmt(i79) = '1,'
WRITE (IOOUT,Fmt) fiv,(vaci(j),j=2,Npt)
C SPECIFIC IMPULSE
WRITE (IOOUT,Fmt) fi,(Spim(j),j=2,Npt)
IF ( Nplt.GT.0 ) THEN
Spim(1) = 0
Aeat(1) = 0
Vmoc(1) = 0
vaci(1) = 0
X(1) = 0
Spim(1) = 0
DO i = ione + 1,Npt
IF ( mppj.GT.0 ) Pltout(i+Iplt-ione,mppj) = Ppp(1)/Ppp(i)
IF ( mppf.GT.0 ) Pltout(i+Iplt-ione,mppf) = App(i)
IF ( mmach.GT.0 ) Pltout(i+Iplt-ione,mmach) = Vmoc(i)
IF ( mae.GT.0 ) Pltout(i+Iplt-ione,mae) = Aeat(i)
IF ( mcf.GT.0 ) Pltout(i+Iplt-ione,mcf) = X(i)
IF ( mivac.GT.0 ) Pltout(i+Iplt-ione,mivac) = vaci(i)
IF ( misp.GT.0 ) Pltout(i+Iplt-ione,misp) = Spim(i)
ENDDO
ENDIF
WRITE (IOOUT,99012)
Fmt(4) = ' '
Fmt(5) = '13'
Fmt(7) = '5,'
IF ( Iopt.NE.0 ) THEN
Fmt(i46) = Fmt(8)
Fmt(i57) = Fmt(9)
ENDIF
IF ( .NOT.Eql ) THEN
IF ( Massf ) THEN
WRITE (IOOUT,99014) 'MASS'
ELSE
WRITE (IOOUT,99014) 'MOLE'
ww = 1.D0/Totn(Nfz)
ENDIF
C MOLE (OR MASS) FRACTIONS - FROZEN
tra = 5.E-6
IF ( Trace.NE.0. ) tra = Trace
line = 0
DO k = 1,Ngc
IF ( Massf ) ww = Mw(k)
X(line+1) = En(k,Nfz)*ww
IF ( X(line+1).GE.tra ) THEN
line = line + 1
z(line) = Prod(k)
ENDIF
IF ( line.EQ.3.OR.k.EQ.Ngc ) THEN
IF ( line.EQ.0 ) GOTO 200
WRITE (IOOUT,99015) (z(ln),X(ln),ln=1,line)
line = 0
ENDIF
ENDDO
ENDIF
200 CALL OUT3
RETURN
99001 FORMAT (/////13x,' THEORETICAL ROCKET PERFORMANCE ASSUMING',
& ' EQUILIBRIUM')
99002 FORMAT (/11x,' COMPOSITION DURING EXPANSION FROM FINITE AREA',
& ' COMBUSTOR')
99003 FORMAT (/10x,' COMPOSITION DURING EXPANSION FROM INFINITE AREA',
& ' COMBUSTOR')
99004 FORMAT (/////10x,' THEORETICAL ROCKET PERFORMANCE ASSUMING FROZEN'
& ,' COMPOSITION')
99005 FORMAT (33X,'AFTER POINT',I2)
99006 FORMAT (25X,'AT AN ASSIGNED TEMPERATURE ')
99007 FORMAT (' Ac/At =',F8.4,6x,'Pinj/Pinf =',F10.6)
99008 FORMAT (' MDOT/Ac =',F10.3,' (KG/S)/M**2',6x,'Pinj/Pinf =',F10.6)
99009 FORMAT (/1x,A3,' =',F8.1,' PSIA')
99010 FORMAT (/,17X,'INJECTOR COMB END THROAT',10(5X,A4))
99011 FORMAT (/17X,'CHAMBER THROAT',11(5X,A4))
99012 FORMAT ()
99013 FORMAT (/' PERFORMANCE PARAMETERS'/)
99014 FORMAT (1x,A4,' FRACTIONS'/)
99015 FORMAT (1X,3(A15,F8.5,3X))
END
SUBROUTINE ROCKET
C***********************************************************************
C EXECUTIVE ROUTINE FOR ROCKET PROBLEMS.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER i,i01,i12,iof,iplt1,iplte,ipp,isub,isup1,isupsv,itnum,
& itrot,nar,nipp,niter,nn,npr1,nptth
LOGICAL done,seql,thi
REAL*8 a1l,acatsv,aeatl,appl,aratio,asq,b1,c1,check,cprf,dd,dh,
& dlnp,dlnpe,dlt,dp,eln,mat,msq,p1,pa,pcpa,pcplt,pinf,pinj,
& pinjas,pjrat,ppa,pr,pracat,prat,pratsv,pvg,test,tmelt,usq
REAL*8 DABS,DLOG,DMAX1,DSQRT
SAVE acatsv,aeatl,appl,aratio,asq,check,cprf,dd,dh,dlnp,dlnpe,dlt,
& done,dp,eln,i,i01,i12,iof,iplt1,iplte,ipp,isub,isup1,isupsv,
& itnum,itrot,mat,msq,nar,nipp,niter,nn,npr1,nptth,p1,pcpa,pcplt,
& pinf,pinj,pinjas,pjrat,ppa,pr,pracat,prat,pratsv,pvg,seql,test,
& thi,tmelt,usq
C
DATA a1l/ - 1.26505/,b1/1.0257/,c1/ - 1.2318/,pa/1.E05/
iplte = Iplt
isup1 = 1
App(1) = 1.
Iopt = 0
Npp = Npp + 2
nn = Npp
i01 = 0
i12 = 1
nipp = 1
nptth = 2
IF ( Fac ) THEN
Eql = .TRUE.
Npp = Npp + 1
IF ( Acat.NE.0. ) THEN
Iopt = 1
ELSEIF ( Ma.NE.0. ) THEN
Iopt = 2
ELSE
WRITE (IOOUT,99001)
Tt = 0.
GOTO 1400
ENDIF
i01 = 1
i12 = 2
nipp = 2
nptth = 3
DO i = Nsub,1, - 1
Subar(i+1) = Subar(i)
ENDDO
Nsub = Nsub + 1
IF ( Iopt.NE.1 ) THEN
IF ( Acat.EQ.0. ) Acat = 2.
ENDIF
Subar(1) = Acat
ELSEIF ( .NOT.Eql.AND.Nfz.GT.1.AND.Nsub.GT.0 ) THEN
Nsub = 0
WRITE (IOOUT,99023)
ENDIF
nn = nn + Nsub + Nsup
IF ( Nfz.GT.2.AND.nn.GT.NCOL-2 ) THEN
WRITE (IOOUT,99002) NCOL - 2
Nfz = 1
Froz = .FALSE.
ENDIF
seql = Eql
iof = 0
Tt = Tcest
Pp = P(1)
App(i12) = 1.
C LOOP FOR EACH O/F
100 It = 1
iof = iof + 1
Oxfl = Oxf(iof)
IF ( T(1).NE.0. ) THEN
Tp = .TRUE.
ELSE
Hp = .TRUE.
ENDIF
Sp = .FALSE.
CALL NEWOF
IF ( T(1).NE.0. ) Tt = T(1)
C LOOP FOR CHAMBER PRESSURES
200 DO Ip = 1,Np
itnum = 0
Area = .FALSE.
IF ( T(1).EQ.0. ) Hp = .TRUE.
IF ( T(1).NE.0. ) Tp = .TRUE.
Sp = .FALSE.
Eql = .TRUE.
isub = 1
Isup = 1
Pp = P(Ip)
pinf = Pp
ipp = 1
itrot = 3
isupsv = 1
niter = 1
Page1 = .TRUE.
iplt1 = iplte
Iplt = iplte
done = .FALSE.
C LOOP FOR OUTPUT COLUMNS
250 nar = Npt
IF ( Eql ) THEN
CALL EQLBRM
IF ( Npt.EQ.Nfz ) cprf = Cpsum
ELSE
CALL FROZEN
ENDIF
C TT = 0 IF NO CONVERGENCE
IF ( Tt.NE.0. ) THEN
C TEST FOR FINITE AREA COMBUSTOR
IF ( .NOT.Fac ) GOTO 400
pinjas = P(Ip)*pa
pinj = pinjas
IF ( Npt.LE.2 ) THEN
IF ( Npt.EQ.1.AND.Trnspt ) CALL TRANP
IF ( Npt.EQ.2 ) pinf = Ppp(2)
ENDIF
IF ( Npt.NE.1 ) GOTO 400
C INITIAL ESTIMATE FOR PC (AND ACAT IF NOT ASSIGNED)
DO i = 1,4
prat = (b1+c1*Acat)/(1.+a1l*Acat)
ppa = pinj*prat
IF ( Iopt.EQ.1 ) GOTO 260
Acat = ppa/(Ma*2350.)
IF ( Acat.GE.1. ) THEN
pratsv = prat
IF ( Debugf ) THEN
IF ( i.LE.1 ) WRITE (IOOUT,99004)
WRITE (IOOUT,99005) i,ppa,Acat
ENDIF
ELSE
WRITE (IOOUT,99003) Ma
Tt = 0.
GOTO 1400
ENDIF
ENDDO
Subar(1) = Acat
260 Pp = ppa/pa
App(1) = Pp/Ppp(1)
GOTO 1100
ELSE
IF ( Npt.LT.1 ) GOTO 1400
IF ( .NOT.Area ) GOTO 600
Npt = nar - 1
Isup = Nsup + 2
Isv = 0
itnum = 0
GOTO 950
ENDIF
300 Hp = .TRUE.
Sp = .FALSE.
niter = niter + 1
Isv = 0
Npt = 2
ipp = 2
CALL SETEN
GOTO 250
350 done = .TRUE.
App(1) = Ppp(2)/Ppp(1)
Area = .FALSE.
IF ( Nsub.GT.1 ) isub = 2
Isv = 4
Npt = 2
ipp = MIN(4,Npp)
CALL SETEN
Cpr(2) = Cpr(4)
Dlvpt(2) = Dlvpt(4)
Dlvtp(2) = Dlvtp(4)
Gammas(2) = Gammas(4)
Hsum(2) = Hsum(4)
Ppp(2) = Ppp(4)
App(2) = Ppp(1)/pinf
Ssum(2) = Ssum(4)
Totn(2) = Totn(4)
Ttt(2) = Ttt(4)
Vlm(2) = Vlm(4)
Wm(2) = Wm(4)
IF ( .NOT.Short ) WRITE (IOOUT,99009)
GOTO 600
C INITIALIZE FOR THROAT
400 IF ( ipp.GT.nipp ) THEN
usq = 2.*(Hsum(1)-Hsum(Npt))*Rr
IF ( ipp.GT.nptth ) GOTO 600
C THROAT
IF ( .NOT.thi ) THEN
Vv = Vlm(nptth)
pvg = Pp*Vv*Gammas(nptth)
IF ( pvg.EQ.0. ) THEN
WRITE (IOOUT,99010)
GOTO 550
ELSE
msq = usq/pvg
IF ( Debug(1).OR.Debug(2) ) WRITE (IOOUT,99011) usq,pvg
dh = DABS(msq-1.D0)
IF ( dh.LE.0.4D-4 ) GOTO 550
IF ( itrot.GT.0 ) THEN
p1 = Pp
IF ( Jsol.NE.0 ) THEN
tmelt = Tt
Pp = Pp*(1.D0+msq*Gammas(nptth))/(Gammas(nptth)+1.D0)
ELSEIF ( tmelt.EQ.0. ) THEN
Pp = Pp*(1.D0+msq*Gammas(nptth))/(Gammas(nptth)+1.D0)
ELSE
WRITE (IOOUT,99012)
dlt = DLOG(tmelt/Tt)
dd = dlt*Cpr(nptth)/(Enn*Dlvtp(nptth))
Pp = Pp*EXP(dd)
App(nptth) = P(Ip)/Pp
IF ( Fac ) App(nptth) = pinf/Pp
IF ( Eql.AND..NOT.Short ) WRITE (IOOUT,99013)
& App(nptth)
thi = .TRUE.
GOTO 250
ENDIF
GOTO 500
ELSEIF ( itrot.LT.0 ) THEN
IF ( itrot.LT.-19 ) THEN
WRITE (IOOUT,99010)
GOTO 550
ELSE
IF ( Npr.NE.npr1 ) GOTO 550
Pp = Pp - dp
GOTO 500
ENDIF
ELSEIF ( Npr.EQ.npr1 ) THEN
WRITE (IOOUT,99010)
GOTO 550
ELSE
dp = DABS(Pp-p1)/20.
Pp = DMAX1(Pp,p1)
WRITE (IOOUT,99012)
Pp = Pp - dp
GOTO 500
ENDIF
ENDIF
ELSE
Gammas(nptth) = 0.
GOTO 550
ENDIF
ELSE
IF ( .NOT.Fac.AND.Trnspt ) CALL TRANP
IF ( Npt.EQ.Nfz ) Eql = seql
Tp = .FALSE.
Hp = .FALSE.
Sp = .TRUE.
S0 = Ssum(i12)
ENDIF
450 tmelt = 0.
itrot = 3
thi = .FALSE.
App(nptth) = ((Gammas(i12)+1.)/2.)
& **(Gammas(i12)/(Gammas(i12)-1.))
IF ( Eql.AND..NOT.Short ) WRITE (IOOUT,99013) App(nptth)
Pp = pinf/App(nptth)
Isv = -i12
GOTO 1200
500 npr1 = Npr
App(nptth) = P(Ip)/Pp
IF ( Fac ) App(nptth) = pinf/Pp
IF ( Eql.AND..NOT.Short ) WRITE (IOOUT,99013) App(nptth)
itrot = itrot - 1
GOTO 250
550 Awt = Enn*Tt/(Pp*usq**.5)
pcplt = DLOG(App(nptth))
600 Isv = 0
Aeat(Npt) = Enn*Ttt(Npt)/(Pp*usq**.5*Awt)
IF ( Tt.EQ.0. ) GOTO 1150
IF ( Area ) GOTO 750
IF ( Trnspt.AND.(.NOT.Fac.OR.done.OR.Npt.GT.2) ) CALL TRANP
IF ( Npt.EQ.Nfz ) Eql = seql
IF ( Fac ) THEN
IF ( Npt.EQ.nptth ) THEN
Area = .TRUE.
GOTO 750
ELSEIF ( Npt.EQ.2.AND.done ) THEN
Npt = 3
C The following statement was corrected 1/30/2004. Only fac parameters
C after combustion were affected--generally extra or missing points.
C (remove) IF ( ipp.LE.Npp ) ipp = ipp - 1
IF ( ipp.LT.Npp.OR.npp.EQ.4 ) ipp = ipp - 1
ENDIF
ENDIF
650 IF ( ipp.LT.Npp ) GOTO 1100
700 IF ( Nsub.EQ.i01.AND.Nsup.EQ.0 ) GOTO 1150
Area = .TRUE.
C PCP ESTIMATES FOR AREA RATIOS
750 IF ( itnum.EQ.0 ) THEN
dlnp = 1.
itnum = 1
aratio = Subar(isub)
IF ( (.NOT.Fac.OR.done).AND.Nsub.LE.i01 ) aratio = Supar(Isup)
IF ( .NOT.Eql.AND.Nfz.GE.3 ) THEN
IF ( aratio.LE.Aeat(Nfz) ) THEN
WRITE (IOOUT,99014) Nfz
GOTO 1050
ENDIF
ENDIF
IF (aratio .LT. 1.d0 ) THEN
WRITE (IOOUT,99025)
GOTO 1050
ENDIF
eln = DLOG(aratio)
IF ( Fac ) THEN
IF ( .NOT.done ) GOTO 800
ENDIF
IF ( Nsub.LE.i01 ) THEN
IF ( Nfz.EQ.ipp ) isupsv = Isup
IF ( Supar(Isup).LT.2. ) THEN
appl = DSQRT(eln*(1.535d0+3.294d0*eln)) + pcplt
GOTO 1100
ELSE
IF ( Isup.GT.isup1.AND.Supar(Isup-1).GE.2. ) GOTO 850
appl = Gammas(nptth) + eln*1.4
GOTO 1100
ENDIF
ENDIF
C TEST FOR CONVERGENCE ON AREA RATIO.
ELSEIF ( Gammas(Npt).GT.0. ) THEN
check = .00004
IF ( Debug(Npt) ) WRITE (IOOUT,99016) itnum,aratio,Aeat(Npt),
& App(Npt),dlnp
IF ( DABS(Aeat(Npt)-aratio)/aratio.LE.check ) GOTO 900
IF ( ABS(dlnp).LT..00004 ) GOTO 900
aeatl = DLOG(Aeat(Npt))
itnum = itnum + 1
IF ( itnum.GT.10 ) THEN
WRITE (IOOUT,99017) aratio
GOTO 900
ELSE
C IMPROVED PCP ESTIMATES.
asq = Gammas(Npt)*Enn*Rr*Tt
dlnpe = Gammas(Npt)*usq/(usq-asq)
GOTO 850
ENDIF
ELSE
WRITE (IOOUT,99015)
Npt = Npt - 1
IF ( Nsub.LE.0 ) isup1 = 100
IF ( Nsub.LT.0. ) Nsup = Isup - 1
IF ( Nsub.GT.0 ) Nsub = isub - 1
GOTO 1000
ENDIF
800 appl = pcplt/(Subar(isub)+(10.587*eln**2+9.454)*eln)
IF ( aratio.LT.1.09 ) appl = .9*appl
IF ( aratio.GT.10. ) appl = appl/aratio
IF ( isub.GT.1.OR.Npt.EQ.NCOL ) GOTO 1100
GOTO 1200
850 dlnp = dlnpe*eln - dlnpe*aeatl
appl = appl + dlnp
IF ( itnum.EQ.1 ) GOTO 1100
IF ( appl.LT.0. ) appl = .000001
App(Npt) = EXP(appl)
Pp = pinf/App(Npt)
GOTO 250
C CONVERGENCE HAS BEEN REACHED FOR ASSIGNED AREA RATIO
900 Aeat(Npt) = aratio
IF ( Fac ) THEN
IF ( .NOT.done ) THEN
IF ( Iopt.EQ.1 ) THEN
C OPTION 1 FOR FINITE AREA COMBUSTOR. INPUT IS ASSIGNED INJECTOR
C PRESSURE AND CONTRACTION RATIO. IMPROVED ESTIMATE FOR PC
Area = .FALSE.
itnum = 0
ppa = Ppp(Npt)*pa
pinj = ppa + 1.D05*usq/Vlm(Npt)
test = (pinj-pinjas)/pinjas
pcpa = pinf*pa
IF ( Debugf ) THEN
WRITE (IOOUT,99006)
WRITE (IOOUT,99007) niter,test,pinjas,pinj,pcpa,ppa,
& acatsv,Acat
ENDIF
IF ( ABS(test).LT.0.00002 ) GOTO 350
prat = pinjas/pinj
Pp = pinf*prat
GOTO 300
ELSEIF ( Iopt.EQ.2 ) THEN
C OPTION 2 FOR FINITE AREA COMBUSTOR. INPUT IS ASSIGNED INJECTOR
C PRESSURE AND MASS FLOW PER UNIT AREA. IMPROVED ESTIMATE FOR PC
C AND ACAT
acatsv = Acat
pratsv = prat
Area = .FALSE.
itnum = 0
ppa = Ppp(4)*pa
pinj = ppa + 1.D05*usq/Vlm(4)
mat = pa/(Awt*Rr)
Acat = mat/Ma
prat = (b1+c1*Acat)/(1.+a1l*Acat)
test = (pinj-pinjas)/pinjas
pcpa = pinf*pa
IF ( Debugf ) THEN
WRITE (IOOUT,99006)
WRITE (IOOUT,99007) niter,test,pinjas,pinj,pcpa,ppa,
& acatsv,Acat
ENDIF
IF ( ABS(test).LT.0.00002 ) GOTO 350
pjrat = pinj/pinjas
Pp = pinf
DO i = 1,2
pracat = pratsv/prat
pr = pjrat*pracat
Pp = Pp/pr
pcpa = Pp*pa
Acat = Acat/pr
Subar(1) = Acat
pratsv = prat
pjrat = 1.
prat = (b1+c1*Acat)/(1.+a1l*Acat)
IF ( Debugf ) WRITE (IOOUT,99008) pcpa,Acat,pjrat,pracat
ENDDO
GOTO 300
ENDIF
ENDIF
ENDIF
950 IF ( Trnspt ) CALL TRANP
IF ( Npt.EQ.Nfz ) Eql = seql
1000 itnum = 0
IF ( Nsub.GT.i01 ) THEN
isub = isub + 1
IF ( isub.LE.Nsub ) GOTO 750
isub = 1
Nsub = -Nsub
IF ( Isup.LE.Nsup ) GOTO 750
Area = .FALSE.
GOTO 1150
ENDIF
1050 Isup = Isup + 1
itnum = 0
IF ( Isup.LE.Nsup ) GOTO 750
Isup = isupsv
Area = .FALSE.
GOTO 1150
C TEST FOR OUTPUT -- SCHEDULES COMPLETE OR NPT=NCOL
1100 Isv = Npt
IF ( Npt.NE.NCOL ) GOTO 1200
1150 IF ( .NOT.Eql ) THEN
IF ( Nfz.LE.1 ) THEN
Cpr(Nfz) = cprf
Gammas(Nfz) = cprf/(cprf-1./Wm(Nfz))
ENDIF
ENDIF
CALL RKTOUT
Iplt = Iplt + Npt
IF ( .NOT.Page1 ) THEN
Iplt = Iplt - 2
IF ( Iopt.NE.0 ) Iplt = Iplt - 1
Iplt = MIN(Iplt,500)
ELSE
Page1 = .FALSE.
ENDIF
iplte = MAX(iplte,Iplt)
dlnp = 1.
IF ( Tt.EQ.0. ) Area = .FALSE.
IF ( .NOT.Eql.AND.Tt.EQ.0. ) WRITE (IOOUT,99018)
IF ( Isv.EQ.0 ) THEN
C PCP, SUBAR, AND SUPAR SCHEDULES COMPLETED
IF ( Nsub.LT.0 ) Nsub = -Nsub
IF ( .NOT.Froz.OR..NOT.Eql ) GOTO 1300
C SET UP FOR FROZEN.
IF ( Eql ) Iplt = iplt1
Eql = .FALSE.
Page1 = .TRUE.
CALL SETEN
Tt = Ttt(Nfz)
ipp = Nfz
IF ( Nfz.EQ.Npt ) GOTO 1150
Npt = Nfz
Enn = 1./Wm(Nfz)
IF ( Nfz.EQ.1 ) GOTO 450
IF ( Nsub.GT.0 ) THEN
Nsub = -Nsub
WRITE (IOOUT,99023)
ENDIF
IF ( App(Nfz).LT.App(nptth) ) THEN
WRITE (IOOUT,99024)
ELSE
IF ( Nfz.LT.Npp ) GOTO 1200
GOTO 700
ENDIF
GOTO 1300
ELSE
IF ( Eql ) WRITE (IOOUT,99019)
Npt = nptth
ENDIF
C SET INDICES AND ESTIMATES FOR NEXT POINT.
1200 Npt = Npt + 1
IF ( Eql.OR.(Isv.EQ.-i12.AND..NOT.seql) ) THEN
C THE FOLLOWING STATEMENT WAS ADDED TO TAKE CARE OF A SITUATION
C WHERE EQLBRM WENT SINGULAR WHEN STARTING FROM ESTIMATES WHERE
C BOTH SOLID AND LIQUID WERE INCLUDED. JULY 27, 1990.
IF ( Jliq.NE.0.AND.Isv.GT.0 ) Isv = 0
CALL SETEN
ENDIF
1250 ipp = ipp + 1
IF ( Npt.GT.nptth ) THEN
IF ( Area ) THEN
App(Npt) = EXP(appl)
ELSE
App(Npt) = Pcp(ipp-nptth)
IF ( Fac ) App(Npt) = App(Npt)*pinf/Ppp(1)
IF ( .NOT.Eql.AND.App(Npt).LT.App(Nfz) ) THEN
WRITE (IOOUT,99020) Nfz
GOTO 1250
ENDIF
ENDIF
Pp = pinf/App(Npt)
IF ( Fac ) THEN
IF ( Area ) THEN
IF ( isub.LE.Nsub.AND.isub.GT.i01.AND.aratio.GE.Aeat(2) )
& THEN
WRITE (IOOUT,99021) aratio,Aeat(2)
Npt = Npt - 1
GOTO 1000
ENDIF
ELSEIF ( Npt.GT.nptth.AND.Pcp(ipp-3).LT.Ppp(1)/Ppp(2) ) THEN
WRITE (IOOUT,99022) Pcp(ipp-3),Ppp(1)/Ppp(2)
Npt = Npt - 1
GOTO 650
ENDIF
ENDIF
ENDIF
GOTO 250
1300 Npt = 1
C CHECK FOR COMPLETED SCHEDULES -
C 1) CHAMBER PRESSURES(IP = NP)
C 2) CHAMBER TEMPERATURES(IT = NT)
C 3) O/F VALUES(IOF = NOF)
IF ( Ip.EQ.Np.AND.It.EQ.Nt.AND.iof.EQ.Nof ) GOTO 1400
WRITE (IOOUT,99019)
CALL SETEN
Tt = Ttt(i12)
ENDDO
IF ( It.LT.Nt ) THEN
It = It + 1
Tt = T(It)
GOTO 200
ELSEIF ( iof.LT.Nof ) THEN
GOTO 100
ENDIF
1400 Iplt = MAX(Iplt,iplte)
RETURN
99001 FORMAT (/' FATAL ERROR!! EITHER mdot OR ac/at MISSING ',
& 'FOR fac PROBLEM (ROCKET)')
99002 FORMAT (/' WARNING!! nfz NOT ALLOWED TO BE > 2 IF THE TOTAL',/,
& ' NUMBER OF POINTS IS >',i3,' (ROCKET)')
99003 FORMAT (/' INPUT VALUE OF mdot/a =',F12.3,' IS TOO LARGE.'/
& ' GIVES CONTRACTION RATIO ESTIMATE LESS THAN 1 (ROCKET)')
99004 FORMAT (/' ITERATION',9X,'PC',7X,'CONTRACTION RATIO')
99005 FORMAT (5X,I2,7X,F12.2,3X,F12.6)
99006 FORMAT (' ITER',3X,'TEST',3X,'ASSIGNED PINJ',1x,'CALC PINJ',5X,
& 'PC',7X,'P AT ACAT',3X,'PREV ACAT',2X,'ACAT')
99007 FORMAT (I3,F10.6,1x,4F12.2,2F9.5)
99008 FORMAT (' NEW PC = ',F10.2,2X,'NEW ACAT = ',F9.6,2X,'PJRAT =',
& F10.7,' PRACAT =',F10.7)
99009 FORMAT (' END OF CHAMBER ITERATIONS')
99010 FORMAT (/' WARNING!! DIFFICULTY IN LOCATING THROAT (ROCKET)')
99011 FORMAT (/' USQ=',E15.8,5X,'PVG=',E15.8)
99012 FORMAT (/' WARNING!! DISCONTINUITY AT THE THROAT (ROCKET)')
99013 FORMAT (' Pinf/Pt =',F9.6)
99014 FORMAT (/,' WARNING!! FOR FROZEN PERFORMANCE, POINTS WERE OMITTED'
& ,' WHERE THE ASSIGNED',/,' SUPERSONIC AREA RATIOS WERE ',
& 'LESS THAN THE VALUE AT POINT nfz =',I3,' (ROCKET)')
99015 FORMAT (/' WARNING!! AREA RATIO CALCULATION CANNOT BE DONE ',
& 'BECAUSE GAMMAs',/,' CALCULATION IMPOSSIBLE. (ROCKET)')
99016 FORMAT (/' ITER=',I2,2X,'ASSIGNED AE/AT=',F14.7,3X,'AE/AT=',F14.7,
& /,2X,'PC/P=',F14.7,2X,'DELTA LN PCP=',F14.7)
99017 FORMAT (/' WARNING!! DID NOT CONVERGE FOR AREA RATIO =',F10.5,
& ' (ROCKET)')
99018 FORMAT (/' WARNING!! CALCULATIONS WERE STOPPED BECAUSE NEXT ',
& 'POINT IS MORE',/,' THAN 50 K BELOW THE TEMPERATURE',
& ' RANGE OF A CONDENSED SPECIES (ROCKET)')
99019 FORMAT (////)
99020 FORMAT (/,' WARNING!! FOR FROZEN PERFORMANCE, POINTS WERE OMITTED'
& ,' WHERE THE ASSIGNED',/,
& ' PRESSURE RATIOS WERE LESS THAN ',
& 'THE VALUE AT POINT nfz =',I3,' (ROCKET)')
99021 FORMAT (/' WARNING!! ASSIGNED subae/at =',f10.5,' IS NOT ',
& 'PERMITTED TO BE GREATER'/' THAN ac/at =',f9.5,
& '. POINT OMITTED (ROCKET)')
99022 FORMAT (/' WARNING!! ASSIGNED pip =',F10.5,
& ' IS NOT PERMITTED'/' TO BE LESS THAN Pinj/Pc =',f9.5,
& '. POINT OMITTED',' (ROCKET)')
99023 FORMAT (/' WARNING!! FOR FROZEN PERFORMANCE, SUBSONIC AREA ',/,
& ' RATIOS WERE OMITTED SINCE nfz IS GREATER THAN 1 (ROCKET)'
& )
99024 FORMAT (/' WARNING!! FREEZING IS NOT ALLOWED AT A SUBSONIC ',
& 'PRESSURE RATIO FOR nfz GREATER'/' THAN 1. FROZEN ',
& 'PERFORMANCE CALCULATIONS WERE OMITTED (ROCKET)')
99025 FORMAT (/' AN ASSIGNED AREA RATIO IS < 1 (ROCKET)' )
END
SUBROUTINE SEARCH
C***********************************************************************
C SEARCH THERMO.LIB FOR THERMO DATA FOR SPECIES TO BE CONSIDERED.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*16 bin(2,40),pure(6),spece(2)
CHARACTER*6 date(MAXNGC)
CHARACTER*2 el(5)
CHARACTER*15 sub
INTEGER i,i5,ifaz,ii,ir,itot,j,jj(2),jk,k,lineb,nall,ne,nint,
& npure,nrec,ntgas,ntot
REAL*8 b(5),t1,t2,thermo(9,3),trdata(36)
SAVE b,bin,date,el,i,i5,ifaz,ii,ir,itot,j,jj,jk,k,lineb,nall,ne,
& nint,npure,nrec,ntgas,ntot,pure,spece,sub,t1,t2,thermo,trdata
C
Nc = 0
ne = 0
DO i = 1,Nlm
Jx(i) = 0
ENDDO
DO j = 1,MAXNGC
S(j) = 0.
H0(j) = 0.
Deln(j) = 0.
DO i = 1,Nlm
A(i,j) = 0.
ENDDO
ENDDO
C READ TEMPERATURE RANGES FOR COEFFICIENTS OF GASEOUS SPECIES.
C SOME DEFINITIONS:
C NTGAS = NUMBER OF GASEOUS SPECIES IN THERMO.LIB.
C NTOT = NTGAS PLUS NUMBER OF TEMPERATURE INTERVALS FOR CONDENSED.
C NALL = NTOT PLUS THE NUMBER OF REACTANT SPECIES IN THERMO.LIB.
C NG = NUMBER OF GASES WITH STORED COEFFICIENTS.
C NC = NUMBER OF CONDENSED INTERVALS WITH STORED COEFFICIENTS.
C NGC = NG + NC
C THDATE = DATE READ FROM THERMO.INP FILE
REWIND IOTHM
READ (IOTHM) Tg,ntgas,ntot,nall,Thdate
Ngc = 1
Nc = 1
C BEGIN LOOP FOR READING SPECIES DATA FROM THERMO.LIB.
DO 200 itot = 1,ntot
IF ( itot.GT.ntgas ) THEN
READ (IOTHM) sub,nint,date(Ngc),(el(j),b(j),j=1,5),Ifz(Nc),
& Temp(1,Nc),Temp(2,Nc),Mw(Ngc),(Cft(Nc,k),k=1,9)
ELSE
READ (IOTHM) sub,nint,date(Ngc),(el(j),b(j),j=1,5),ifaz,t1,t2,
& Mw(Ngc),thermo
ENDIF
IF ( Nonly.NE.0 ) THEN
i = 1
20 IF ( Prod(i).NE.sub.AND.'*'//Prod(i).NE.sub ) THEN
i = i + 1
IF ( i.LE.Nonly ) GOTO 20
GOTO 200
ELSE
IF ( sub.EQ.Prod(Ngc-1) ) THEN
Nonly = Nonly + 1
DO k = Nonly,i + 1, - 1
Prod(k) = Prod(k-1)
ENDDO
ELSE
Prod(i) = Prod(Ngc)
ENDIF
Prod(Ngc) = sub
ENDIF
ELSEIF ( Nomit.NE.0 ) THEN
DO i = 1,Nomit
IF ( Omit(i).EQ.sub.OR.'*'//Omit(i).EQ.sub ) GOTO 200
ENDDO
ENDIF
DO 50 k = 1,5
IF ( b(k).EQ.0. ) GOTO 100
DO i = 1,Nlm
IF ( Elmt(i).EQ.el(k) ) THEN
A(i,Ngc) = b(k)
GOTO 50
ENDIF
ENDDO
DO j = 1,Nlm
A(j,Ngc) = 0.
ENDDO
GOTO 200
50 CONTINUE
100 Prod(Ngc) = sub
IF ( itot.GT.ntgas ) THEN
Nc = Nc + 1
IF ( Nc.GT.MAXNC ) GOTO 400
ELSE
Ng = Ngc
IF ( Ng.GT.MAXNG ) GOTO 400
DO i = 1,3
DO j = 1,9
Coef(Ng,j,i) = thermo(j,i)
ENDDO
ENDDO
C IF SPECIES IS AN ATOMIC GAS, STORE INDEX IN JX
IF ( b(2).EQ.0..AND.b(1).EQ.1. ) THEN
DO i = 1,Nlm
IF ( Elmt(i).EQ.el(1) ) THEN
ne = ne + 1
Jx(i) = Ngc
Jcm(i) = Ngc
GOTO 150
ENDIF
ENDDO
ENDIF
ENDIF
150 Ngc = Ngc + 1
IF ( Ngc.GT.MAXNGC ) GOTO 400
200 CONTINUE
C FINISHED READING THERMO DATA FROM I/O UNIT IOTHM.
Ifz(Nc) = 0
Nc = Nc - 1
Ngc = Ngc - 1
Ngp1 = Ng + 1
IF ( Ngc.LT.Nonly ) THEN
DO k = Ngc + 1,Nonly
WRITE (IOOUT,99001) Prod(k)
ENDDO
ENDIF
C FIND MISSING ELEMENTS (IF ANY) FOR COMPONENTS
Nspx = Ngc
IF ( ne.LT.Nlm ) THEN
DO i = 1,Nlm
IF ( Nspx.GT.MAXNGC ) GOTO 400
IF ( Jx(i).EQ.0 ) THEN
Nspx = Nspx + 1
DO k = 1,Nlm
A(k,Nspx) = 0.
ENDDO
A(i,Nspx) = 1.
Prod(Nspx) = Elmt(i)
DO k = 1,100
IF ( Elmt(i).EQ.Symbol(k) ) THEN
Mw(Nspx) = Atmwt(k)
Atwt(i) = Atmwt(k)
Cp(Nspx) = 2.5D0
GOTO 210
ENDIF
ENDDO
210 Jx(i) = Nspx
Jcm(i) = Nspx
ENDIF
ENDDO
ENDIF
C ARE ALL ELEMENTS IN PRODUCT SPECIES?
DO 300 i = 1,Nlm
DO j = 1,Ngc
IF ( A(i,j).NE.0. ) GOTO 300
ii = i
ENDDO
WRITE (IOOUT,99002) Elmt(ii)
Ngc = 0
GOTO 600
300 CONTINUE
C WRITE POSSIBLE PRODUCT LIST
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99003) Thdate
DO i = 1,Ngc,3
i5 = i + 2
IF ( Ngc.LT.i5 ) i5 = Ngc
WRITE (IOOUT,99004) (date(j),Prod(j),j=i,i5)
ENDDO
ENDIF
GOTO 600
400 WRITE (IOOUT,99005)
Ngc = 0
GOTO 600
C SEARCH FOR TRANSPORT PROPERTIES FOR THIS CHEMICAL SYSTEM
ENTRY READTR
REWIND IOTRN
REWIND IOSCH
Ntape = 0
npure = 0
lineb = 1
IF ( .NOT.Short ) WRITE (IOOUT,99006)
READ (IOTRN) nrec
DO ir = 1,nrec
READ (IOTRN) spece,trdata
k = 1
450 DO j = 1,Ng
IF ( spece(k).EQ.Prod(j).OR.'*'//spece(k).EQ.Prod(j) ) THEN
jj(k) = j
IF ( k.EQ.2 ) THEN
C STORE NAMES FOR BINARIES IN BIN ARRAY.
DO k = 1,2
bin(k,lineb) = spece(k)
ENDDO
lineb = lineb + 1
GOTO 500
ELSE
jj(2) = j
IF ( spece(2).EQ.' ' ) THEN
C WRITE NAMES FOR PURE SPECIES.
npure = npure + 1
pure(npure) = spece(1)
GOTO 500
ELSE
k = 2
GOTO 450
ENDIF
ENDIF
ENDIF
ENDDO
GOTO 550
500 WRITE (IOSCH) jj,trdata
Ntape = Ntape + 1
550 IF ( npure.NE.0.AND.(npure.GE.6.OR.ir.GE.nrec) ) THEN
IF ( .NOT.Short ) WRITE (IOOUT,99007) (pure(jk),jk=1,npure)
npure = 0
ENDIF
ENDDO
lineb = lineb - 1
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99008)
DO j = 1,lineb
WRITE (IOOUT,99009) (bin(i,j),i=1,2)
ENDDO
ENDIF
WRITE (IOOUT,99010)
600 RETURN
99001 FORMAT (/' WARNING!! ',A15,' NOT A PRODUCT IN thermo.lib FILE ',
& '(SEARCH)')
99002 FORMAT (/' PRODUCT SPECIES CONTAINING THE ELEMENT',A3,' MISSING',
& //,13x,'FATAL ERROR (SEARCH)')
99003 FORMAT (/2x,'SPECIES BEING CONSIDERED IN THIS SYSTEM',
& /' (CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES)',
& /' LAST thermo.inp UPDATE: ',A10,/)
99004 FORMAT (3(2X,A6,2X,A15))
99005 FORMAT (/' INSUFFICIENT STORAGE FOR PRODUCTS-SEE RP-1311,',
& /' PART 2, PAGE 39. (SEARCH)')
99006 FORMAT (/' SPECIES WITH TRANSPORT PROPERTIES'//8X,'PURE SPECIES'/)
99007 FORMAT (4(2x,A16))
99008 FORMAT (/' BINARY INTERACTIONS'/)
99009 FORMAT (5X,2A16)
99010 FORMAT ()
END
SUBROUTINE SETEN
C***********************************************************************
C USE COMPOSITIONS FROM PREVIOUS POINT AS INITIAL ESTIMATES FOR
C CURRENT POINT NPT. IF -
C ISV>0 USE COMPOSITIONS FROM POINT ISV.
C ISV<0 SAVE COMPOSITIONS FROM POINT -ISV FOR POSSIBLE LATER USE.
C ALSO USE COMPOSITIONS FROM POINT -ISV FOR NPT.
C ISV=0 USE COMPOSITIONS SAVED WHEN ISV<0.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER j,lsav
REAL*8 tsave
REAL*8 DEXP
SAVE j,lsav,tsave
C
IF ( Isv.LT.0 ) THEN
C FIRST T--SAVE COMPOSITIONS FOR FUTURE POINTS WITH THIS T
Isv = -Isv
tsave = Ttt(Isv)
Ensave = Enn
Enlsav = Ennl
lsav = Lsave
DO j = 1,Ng
Sln(j) = Enln(j)
ENDDO
DO j = 1,Ng
En(j,Npt) = En(j,Isv)
ENDDO
Npr = 0
DO j = Ngp1,Ngc
Sln(j) = En(j,Isv)
En(j,Npt) = Sln(j)
IF ( Jliq.EQ.j ) THEN
En(Jsol,Npt) = En(Jsol,Isv) + En(Jliq,Isv)
En(Jliq,Npt) = 0.
Jsol = 0
Jliq = 0
tsave = tsave - 5.
Tt = tsave
Sln(j) = 0.
ELSEIF ( En(j,Npt).GT.0. ) THEN
Npr = Npr + 1
Jcond(Npr) = j
ENDIF
ENDDO
ELSEIF ( Isv.EQ.0 ) THEN
C NEXT POINT FIRST T IN SCHEDULE, USE PREVIOUS COMPOSITIONS FOR THIS T
Jsol = 0
Jliq = 0
Enn = Ensave
Ennl = Enlsav
Lsave = lsav
Npr = 0
DO j = Ngp1,Ngc
En(j,Npt) = Sln(j)
IF ( En(j,Npt).GT.0.D0 ) THEN
Npr = Npr + 1
Jcond(Npr) = j
ENDIF
ENDDO
DO j = 1,Ng
En(j,Npt) = 0.
Enln(j) = Sln(j)
IF ( Sln(j).NE.0. ) THEN
IF ( (Enln(j)-Ennl+18.5).GT.0. ) En(j,Npt) = DEXP(Enln(j))
ENDIF
ENDDO
IF ( .NOT.Tp ) Tt = tsave
Sumn = Enn
ELSEIF ( Isv.GT.0 ) THEN
C USE COMPOSITIONS FROM PREVIOUS POINT
DO j = 1,Ngc
En(j,Npt) = En(j,Isv)
ENDDO
ENDIF
END
SUBROUTINE SHCK
C***********************************************************************
C PRIMARY ROUTINE FOR SHOCK PROBLEMS.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
CHARACTER*1 cr12,cr52
INTEGER i,iof,it1,it2,itr,j,n
LOGICAL refl,seql,srefl
REAL*8 ax,axx,b2,cormax,gg,hs,m2m1(NCOL),mis(13),mu12rt,p1,p21,
& p21l,p2p1(NCOL),pmn,rho12,rho52,rrho(NCOL),sg(78),t1,t21,
& t21l,t2t1(NCOL),ttmax,u1u2(NCOL),uis(13),utwo(NCOL),uu,wmx,
& ww
REAL*8 DABS,DEXP,DLOG,DMIN1
SAVE ax,axx,b2,cormax,cr12,cr52,gg,hs,i,iof,it1,it2,itr,j,m2m1,
& mis,mu12rt,n,p1,p21,p21l,p2p1,pmn,refl,rho12,rho52,rrho,seql,sg,
& srefl,t1,t21,t21l,t2t1,ttmax,u1u2,uis,utwo,uu,wmx,ww
C
IF ( Trace.EQ.0. ) Trace = 5.E-9
Tp = .TRUE.
Cpmix = 0.
srefl = .FALSE.
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99001)
WRITE (IOOUT,99002) Incdeq,Refleq,Incdfz,Reflfz
ENDIF
IF ( Refleq.OR.Reflfz ) srefl = .TRUE.
seql = Incdeq
IF ( T(1).EQ.0. ) T(1) = Rtemp(1)
DO i = 1,Nsk
uis(i) = U1(i)
mis(i) = Mach1(i)
IF ( Mach1(i).EQ.0.0.AND.U1(i).EQ.0.0 ) GOTO 100
ENDDO
100 IF ( Nsk.GT.NCOL ) THEN
WRITE (IOOUT,99003) NCOL
Nsk = NCOL
ENDIF
IF ( .NOT.Short ) THEN
WRITE (IOOUT,99004) (U1(i),i=1,Nsk)
WRITE (IOOUT,99005) (Mach1(i),i=1,Nsk)
ENDIF
iof = 0
200 iof = iof + 1
Oxfl = Oxf(iof)
CALL NEWOF
Incdeq = seql
300 refl = .FALSE.
it2 = 2
it1 = 1
Pp = P(1)
Tt = T(1)
IF ( .NOT.Incdeq ) THEN
C FROZEN
DO n = 1,Nsk
Dlvtp(n) = 1.
Dlvpt(n) = -1.
ENDDO
ENDIF
DO Npt = 1,Nsk
Ppp(Npt) = P(Npt)
Ttt(Npt) = T(Npt)
IF ( Npt.GT.1 ) THEN
IF ( Ppp(Npt).EQ.0. ) Ppp(Npt) = Ppp(Npt-1)
IF ( Ttt(Npt).EQ.0. ) Ttt(Npt) = Ttt(Npt-1)
Ssum(Npt) = Ssum(Npt-1)
Hsum(Npt) = Hsum(Npt-1)
IF ( Ttt(Npt).EQ.Tt.AND.Ppp(Npt).EQ.Pp ) GOTO 350
ENDIF
Pp = Ppp(Npt)
Tt = Ttt(Npt)
IF ( Tt.GE.Tg(1)*.8D0 ) THEN
CALL HCALC
Hsum(Npt) = Hsub0
ELSE
WRITE (IOOUT,99016) Tt,Npt
GOTO 1000
ENDIF
350 IF ( Cpmix.NE.0. ) Gamma1 = Cpmix/(Cpmix-1./Wmix)
A1 = (Rr*Gamma1*Tt/Wmix)**.5
IF ( U1(Npt).EQ.0. ) U1(Npt) = A1*Mach1(Npt)
IF ( Mach1(Npt).EQ.0. ) Mach1(Npt) = U1(Npt)/A1
Wm(Npt) = Wmix
Cpr(Npt) = Cpmix
Gammas(Npt) = Gamma1
Vlm(Npt) = Rr*Tt/(Wmix*Pp)
ENDDO
Npt = Nsk
C OUTPUT--1ST CONDITION
WRITE (IOOUT,99006)
IF ( .NOT.Incdeq ) THEN
WRITE (IOOUT,99008)
ELSE
WRITE (IOOUT,99007)
ENDIF
Eql = .FALSE.
CALL OUT1
WRITE (IOOUT,99009)
Fmt(4) = '13'
Fmt(5) = ' '
Fmt(7) = '4,'
WRITE (IOOUT,Fmt) 'MACH NUMBER1 ',(Mach1(j),j=1,Npt)
Fmt(7) = '2,'
WRITE (IOOUT,Fmt) 'U1, M/SEC ',(U1(j),j=1,Npt)
CALL OUT2
C BEGIN CALCULATIONS FOR 2ND CONDITION
IF ( Incdeq ) Eql = .TRUE.
Npt = 1
400 Gamma1 = Gammas(Npt)
uu = U1(Npt)
wmx = Wm(Npt)
p1 = Ppp(Npt)
t1 = Ttt(Npt)
hs = Hsum(Npt)
IF ( refl ) uu = u1u2(Npt)
mu12rt = wmx*uu**2/(Rr*t1)
IF ( refl ) THEN
C REFLECTED--SUBSCRIPTS 2=1, 5=2, P52=P21
t21 = 2.
b2 = (-1.-mu12rt-t21)/2.
p21 = -b2 + SQRT(b2**2-t21)
ELSE
p21 = (2.*Gamma1*Mach1(Npt)**2-Gamma1+1.)/(Gamma1+1.)
C THE FOLLOWING IMPROVED FORMULATION FOR THE INITIAL ESTIMATE FOR THE
C 2ND CONDITION WAS MADE AND TESTED BY S. GORDON 7/10/89.
IF ( .NOT.Eql ) THEN
t21 = p21*(2./Mach1(Npt)**2+Gamma1-1.)/(Gamma1+1.)
ELSE
Pp = p21*p1
Tp = .FALSE.
Hp = .TRUE.
Hsub0 = hs + uu**2/(2.*Rr)
CALL EQLBRM
t21 = Ttt(Npt)/t1
Hp = .FALSE.
Tp = .TRUE.
ENDIF
ENDIF
p21l = DLOG(p21)
ttmax = 1.05*Tg(4)/t1
t21 = DMIN1(t21,ttmax)
t21l = DLOG(t21)
itr = 1
500 IF ( Shkdbg ) WRITE (IOOUT,99010) itr,it2,it1,p21,it2,it1,t21,
& rho52
Tt = t21*t1
Pp = p21*p1
IF ( .NOT.Eql ) THEN
C FROZEN
Tln = DLOG(Tt)
IF ( .NOT.Incdeq ) THEN
CALL HCALC
IF ( Tt.EQ.0. ) GOTO 600
Hsum(Npt) = Hsub0
Cpr(Npt) = Cpmix
ELSE
CALL CPHS
Cpr(Npt) = Cpsum
Hsum(Npt) = 0.
DO j = 1,Ng
Hsum(Npt) = Hsum(Npt) + H0(j)*En(j,Npt)
ENDDO
Hsum(Npt) = Hsum(Npt)*Tt
ENDIF
ELSE
CALL EQLBRM
IF ( Tt.EQ.0. ) GOTO 800
ENDIF
rho12 = wmx*t21/(Wm(Npt)*p21)
gg = rho12*mu12rt
rho52 = 1./rho12
IF ( refl ) gg = -mu12rt*rho52/(rho52-1.)**2
G(1,1) = -gg*Dlvpt(Npt) - p21
G(1,2) = -gg*Dlvtp(Npt)
G(1,3) = p21 - 1. + gg - mu12rt
IF ( refl ) G(1,3) = p21 - 1. + gg*(rho52-1.)
gg = gg*t1/wmx
IF ( .NOT.refl ) gg = gg*rho12
G(2,1) = -gg*Dlvpt(Npt) + Tt*(Dlvtp(Npt)-1.)/Wm(Npt)
G(2,2) = -gg*Dlvtp(Npt) - Tt*Cpr(Npt)
gg = 1. - rho12**2
IF ( refl ) gg = (rho52+1.)/(rho52-1.)
G(2,3) = Hsum(Npt) - hs - uu**2*gg/(2.*Rr)
X(3) = G(1,1)*G(2,2) - G(1,2)*G(2,1)
X(1) = (G(1,3)*G(2,2)-G(2,3)*G(1,2))/X(3)
X(2) = (G(1,1)*G(2,3)-G(2,1)*G(1,3))/X(3)
IF ( Shkdbg ) THEN
WRITE (IOOUT,99011) G(1,1),G(1,2),G(1,3)
WRITE (IOOUT,99011) G(2,1),G(2,2),G(2,3)
WRITE (IOOUT,99012) X(1),X(2)
WRITE (IOOUT,99013) Hsum(Npt),hs,uu,uu*rho12
ENDIF
ax = DABS(X(1))
axx = DABS(X(2))
IF ( axx.GT.ax ) ax = axx
IF ( ax.GE..00005 ) THEN
cormax = .40546511
IF ( itr.GT.4 ) cormax = .22314355
IF ( itr.GT.12 ) cormax = .09531018
IF ( itr.GT.20 ) cormax = .04879016
ax = ax/cormax
IF ( ax.GT.1. ) THEN
X(1) = X(1)/ax
X(2) = X(2)/ax
ENDIF
p21l = p21l + X(1)
t21l = t21l + X(2)
p21 = DEXP(p21l)
t21 = DEXP(t21l)
IF ( Shkdbg ) WRITE (IOOUT,99014) cormax,X(1),X(2)
IF ( itr.NE.1.OR.t21.LT.ttmax ) THEN
itr = itr + 1
IF ( itr.LT.61 ) GOTO 500
WRITE (IOOUT,99015) U1(Npt)
ELSE
Tt = 0.
Npt = Npt - 1
GOTO 700
ENDIF
ENDIF
C CONVERGED OR TOOK 60 ITERATIONS WITHOUT CONVERGING.
C STORE RESULTS.
600 rrho(Npt) = rho52
m2m1(Npt) = Wm(Npt)/wmx
p2p1(Npt) = p21
t2t1(Npt) = t21
utwo(Npt) = uu*rho12
u1u2(Npt) = uu - utwo(Npt)
IF ( Tt.GE.Tg(1)*.8D0.AND.Tt.LE.Tg(4)*1.1D0 ) THEN
IF ( .NOT.Eql ) THEN
C FROZEN
Ppp(Npt) = Pp
Ttt(Npt) = Tt
Gammas(Npt) = Cpr(Npt)/(Cpr(Npt)-1./wmx)
Vlm(Npt) = Rr*Tt/(wmx*Pp)
IF ( Incdeq ) THEN
Ssum(Npt) = 0.
DO j = 1,Ngc
pmn = Pp*wmx*En(j,Npt)
IF ( En(j,Npt).GT.0. ) Ssum(Npt) = Ssum(Npt) + En(j,Npt)
& *(S(j)-DLOG(pmn))
ENDDO
ENDIF
ENDIF
GOTO 900
ENDIF
700 WRITE (IOOUT,99016) Tt,Npt
Tt = 0.
800 IF ( Npt.LT.1 ) GOTO 1000
Nsk = Npt
900 IF ( Trnspt ) CALL TRANP
Isv = 0
IF ( Npt.LT.Nsk ) Isv = Npt
IF ( Npt.EQ.1 ) Isv = -1
Npt = Npt + 1
IF ( Eql ) CALL SETEN
IF ( Npt.LE.Nsk ) GOTO 400
Npt = Nsk
IF ( refl ) THEN
IF ( .NOT.Eql ) WRITE (IOOUT,99020)
IF ( Eql ) WRITE (IOOUT,99021)
cr12 = '2'
cr52 = '5'
ELSE
IF ( .NOT.Eql ) WRITE (IOOUT,99018)
IF ( Eql ) WRITE (IOOUT,99019)
cr12 = '1'
cr52 = '2'
ENDIF
Fmt(7) = '2,'
WRITE (IOOUT,Fmt) 'U'//cr52//', M/SEC ',(utwo(j),j=1,Npt)
CALL OUT2
IF ( Trnspt ) CALL OUT4
WRITE (IOOUT,99017)
Fmt(7) = '3,'
WRITE (IOOUT,Fmt) 'P'//cr52//'/P'//cr12//' ',
& (p2p1(j),j=1,Npt)
WRITE (IOOUT,Fmt) 'T'//cr52//'/T'//cr12//' ',
& (t2t1(j),j=1,Npt)
Fmt(7) = '4,'
WRITE (IOOUT,Fmt) 'M'//cr52//'/M'//cr12//' ',
& (m2m1(j),j=1,Npt)
WRITE (IOOUT,Fmt) 'RHO'//cr52//'/RHO'//cr12//' ',
& (rrho(j),j=1,Npt)
Fmt(7) = '2,'
IF ( .NOT.refl ) WRITE (IOOUT,Fmt) 'V2, M/SEC ',(u1u2(j),
& j=1,Npt)
IF ( refl ) WRITE (IOOUT,Fmt) 'U5+V2,M/SEC ',(u1u2(j),j=1,Npt)
IF ( .NOT.Eql ) THEN
C WRITE FROZEN MOLE (OR MASS) FRACTIONS
Fmt(7) = '5,'
IF ( .NOT.Incdeq ) THEN
IF ( Massf ) THEN
WRITE (IOOUT,99022) 'MASS'
ELSE
WRITE (IOOUT,99022) 'MOLE'
ww = wmx
ENDIF
DO n = 1,Nreac
j = Jray(n)
IF ( Massf ) ww = Mw(j)
WRITE (IOOUT,99023) Prod(j),(En(j,i)*ww,i=1,Npt)
ENDDO
ELSE
Eql = .TRUE.
CALL OUT3
Eql = .FALSE.
ENDIF
ELSE
CALL OUT3
ENDIF
Iplt = MIN(Iplt+Npt,500)
IF ( srefl ) THEN
IF ( .NOT.refl ) THEN
refl = .TRUE.
it2 = 5
it1 = 2
Eql = .TRUE.
IF ( Reflfz ) THEN
Eql = .FALSE.
IF ( Refleq ) THEN
j = 0
DO i = 1,Npt
j = j + 1
sg(j) = u1u2(i)
j = j + 1
sg(j) = Wm(i)
j = j + 1
sg(j) = Ppp(i)
j = j + 1
sg(j) = Ttt(i)
j = j + 1
sg(j) = Hsum(i)
j = j + 1
sg(j) = Gammas(i)
ENDDO
ENDIF
ENDIF
Npt = 1
GOTO 400
ELSEIF ( .NOT.Eql.AND.Refleq ) THEN
j = 1
DO i = 1,Npt
u1u2(i) = sg(j)
Wm(i) = sg(j+1)
Ppp(i) = sg(j+2)
Ttt(i) = sg(j+3)
Hsum(i) = sg(j+4)
Gammas(i) = sg(j+5)
j = j + 6
ENDDO
Eql = .TRUE.
Npt = 1
GOTO 400
ENDIF
ENDIF
IF ( Incdeq.AND.Incdfz ) THEN
Incdeq = .FALSE.
Eql = .FALSE.
GOTO 300
ELSEIF ( iof.GE.Nof ) THEN
Tp = .FALSE.
DO n = 1,Nreac
Rtemp(n) = T(1)
ENDDO
ELSE
DO i = 1,Nsk
U1(i) = uis(i)
Mach1(i) = mis(i)
ENDDO
GOTO 200
ENDIF
1000 RETURN
99001 FORMAT (/' *** INPUT FOR SHOCK PROBLEMS ***')
99002 FORMAT (/' INCDEQ =',L2,' REFLEQ =',L2,' INCDFZ =',L2,
& ' REFLFZ =',L2)
99003 FORMAT (/' WARNING!! ONLY ',I2,' u1 OR mach1 VALUES ALLOWED ',
& '(SHCK)')
99004 FORMAT (/1p,' U1 = ',5E13.6,/(8X,5E13.6))
99005 FORMAT (/1p,' MACH1 =',5E13.6,/(8X,5E13.6))
99006 FORMAT (////25X,'SHOCK WAVE PARAMETERS ASSUMING')
99007 FORMAT (/,16X,' EQUILIBRIUM COMPOSITION FOR INCIDENT SHOCKED',
& ' CONDITIONS'//)
99008 FORMAT (/,17X,' FROZEN COMPOSITION FOR INCIDENT SHOCKED',
& ' CONDITI1ONS'//)
99009 FORMAT (/' INITIAL GAS (1)')
99010 FORMAT (/' ITR NO.=',I3,3X,'P',I1,'/P',I1,' =',F9.4,3X,'T',I1,
& '/T',I1,' =',F9.4,' RHO2/RHO1 =',F9.6)
99011 FORMAT (/' G(I,J) ',3E15.8)
99012 FORMAT (/' X ',2E15.8)
99013 FORMAT (/' HSUM HS UU U2 ',4E15.8)
99014 FORMAT (/' MAX.COR.=',e13.6,' X(1)=',e13.6,' X(2)=',e13.6)
99015 FORMAT (/6x,' WARNING!! NO CONVERGENCE FOR u1=',F8.1,
& /' ANSWERS NOT RELIABLE, SOLUTION MAY NOT EXIST (SHCK)')
99016 FORMAT (/' TEMPERATURE=',E12.4,' IS OUT OF EXTENDED RANGE ',
& 'FOR POINT',I5,' (SHCK)')
99017 FORMAT ()
99018 FORMAT (/' SHOCKED GAS (2)--INCIDENT--FROZEN')
99019 FORMAT (/' SHOCKED GAS (2)--INCIDENT--EQUILIBRIUM')
99020 FORMAT (/' SHOCKED GAS (5)--REFLECTED--FROZEN')
99021 FORMAT (/' SHOCKED GAS (5)--REFLECTED--EQUILIBRIUM')
99022 FORMAT (/1x,A4,' FRACTIONS'/)
99023 FORMAT (' ',A16,F8.5,12F9.5)
END
SUBROUTINE THERMP
C***********************************************************************
C ASSIGNED THERMODYNAMIC STATES. HP,SP,TP,UV,SV, AND TV PROBLEMS.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER iof
LOGICAL uv,tv,sv
SAVE iof
C
EQUIVALENCE (Hp,Uv)
EQUIVALENCE (Tp,Tv)
EQUIVALENCE (Sp,Sv)
Eql = .TRUE.
DO 100 iof = 1,Nof
Oxfl = Oxf(iof)
CALL NEWOF
C SET ASSIGNED P OR VOLUME
DO Ip = 1,Np
Pp = P(Ip)
C SET ASSIGNED T
DO It = 1,Nt
Vv = V(Ip)
Tt = T(It)
CALL EQLBRM
IF ( Npt.EQ.0 ) GOTO 200
IF ( Trnspt.AND.Tt.NE.0. ) CALL TRANP
Isv = 0
IF ( Ip.NE.Np.OR.It.NE.Nt.AND.Tt.NE.0. ) THEN
Isv = Npt
IF ( Npt.NE.NCOL ) GOTO 10
ENDIF
IF ( .NOT.Hp ) WRITE (IOOUT,99001)
IF ( Hp ) WRITE (IOOUT,99002)
IF ( .NOT.Vol ) THEN
IF ( Hp ) WRITE (IOOUT,99006)
IF ( Tp ) WRITE (IOOUT,99007)
IF ( Sp ) WRITE (IOOUT,99008)
ELSE
IF ( Uv ) WRITE (IOOUT,99003)
IF ( Tv ) WRITE (IOOUT,99004)
IF ( Sv ) WRITE (IOOUT,99005)
ENDIF
CALL OUT1
WRITE (IOOUT,99009)
CALL OUT2
IF ( Trnspt ) CALL OUT4
CALL OUT3
Iplt = MIN(Iplt+Npt,500)
IF ( Isv.EQ.0.AND.iof.EQ.Nof ) GOTO 200
WRITE (IOOUT,99010)
Npt = 0
10 Npt = Npt + 1
IF ( .NOT.Tp.AND.Tt.NE.0. ) T(1) = Tt
IF ( Nt.EQ.1.AND.Np.EQ.1 ) GOTO 100
IF ( Ip.EQ.1.AND.It.EQ.1 ) Isv = -Isv
IF ( Nt.NE.1 ) THEN
IF ( It.EQ.Nt.OR.Tt.EQ.0. ) Isv = 0
ENDIF
CALL SETEN
ENDDO
ENDDO
100 CONTINUE
200 RETURN
99001 FORMAT (////15X,'THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED'
& )
99002 FORMAT (////9X,
& 'THERMODYNAMIC EQUILIBRIUM COMBUSTION PROPERTIES AT ASSIGNED'
& )
99003 FORMAT (/36X,' VOLUME'/)
99004 FORMAT (/28X,'TEMPERATURE AND VOLUME'/)
99005 FORMAT (/30X,'ENTROPY AND VOLUME'/)
99006 FORMAT (/34X,' PRESSURES'/)
99007 FORMAT (/27X,'TEMPERATURE AND PRESSURE'/)
99008 FORMAT (/29X,'ENTROPY AND PRESSURE'/)
99009 FORMAT (/' THERMODYNAMIC PROPERTIES'/)
99010 FORMAT (////)
END
SUBROUTINE TRANIN
C***********************************************************************
C BRINGS IN AND SORTS OUT INPUT FOR TRANSPORT CALCULATIONS
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER i,ii,inds(MAXTR),ir,j,jtape(2),k,k1,k2,kt,kvc,l,loop,m,nms
LOGICAL change,elc1,elc2,ion1,ion2,setx
REAL*8 coeff,debye,ekt,enel,enmin,ionic,lamda,omega,prop,qc,ratio,
& stcf(MAXTR,MAXTR),stcoef(MAXTR),te,testen,testot,total,
& trc(6,3,2),wmols(MAXTR),wmred,xsel,xss(MAXTR)
REAL*8 DABS,DEXP,DLOG,DSQRT
SAVE change,coeff,debye,ekt,elc1,elc2,enel,enmin,i,ii,inds,ion1,
& ion2,ionic,ir,j,jtape,k,k1,k2,kt,kvc,l,lamda,loop,m,nms,omega,
& prop,qc,ratio,setx,stcf,stcoef,te,testen,testot,total,trc,wmols,
& wmred,xsel,xss
C
IF ( .NOT.Eql ) THEN
IF ( .NOT.Shock ) THEN
IF ( .NOT.setx ) THEN
setx = .TRUE.
Nm = nms
DO i = 1,Nm
Xs(i) = xss(i)
Wmol(i) = wmols(i)
Ind(i) = inds(i)
ENDDO
ENDIF
GOTO 300
ELSEIF ( .NOT.Incdeq ) THEN
IF ( Npt.LE.1 ) THEN
Nm = Nreac
DO i = 1,Nm
j = Jray(i)
Ind(i) = j
Wmol(i) = Mw(j)
Xs(i) = En(j,1)*Wm(1)
ENDDO
ENDIF
GOTO 300
ENDIF
ENDIF
C PICK OUT IMPORTANT SPECIES
Nm = 0
total = 0.D0
enmin = 1.0D-11/Wm(Npt)
testot = 0.999999999D0/Wm(Npt)
DO i = 1,Lsave
j = Jcm(i)
IF ( En(j,Npt).LE.0.D0.AND.j.LE.Ngc ) THEN
IF ( (Enln(j)-Ennl+25.328436D0).GT.0.D0 ) En(j,Npt)
& = DEXP(Enln(j))
ENDIF
Nm = Nm + 1
Ind(Nm) = j
total = total + En(j,Npt)
IF ( Mw(j).LT.1.0D0 ) enel = En(j,Npt)
En(j,Npt) = -En(j,Npt)
ENDDO
testen = 1.D0/(Ng*Wm(Npt))
loop = 0
100 IF ( total.LE.testot.AND.loop.LE.Ng ) THEN
loop = loop + 1
testen = testen/10.
DO j = 1,Ng
IF ( En(j,Npt).GE.testen ) THEN
IF ( Nm.GE.MAXTR ) THEN
WRITE (IOOUT,99001) Nm,Npt
GOTO 200
ELSE
total = total + En(j,Npt)
Nm = Nm + 1
Ind(Nm) = j
En(j,Npt) = -En(j,Npt)
ENDIF
ENDIF
ENDDO
IF ( testen.GT.enmin ) GOTO 100
ENDIF
C CALCULATE MOLE FRACTIONS FROM THE EN(J,NPT)
200 DO j = 1,Ng
En(j,Npt) = DABS(En(j,Npt))
ENDDO
DO i = 1,Nm
j = Ind(i)
Wmol(i) = Mw(j)
Xs(i) = En(j,Npt)/total
ENDDO
IF ( Npt.EQ.Nfz ) THEN
nms = Nm
DO i = 1,Nm
xss(i) = Xs(i)
wmols(i) = Wmol(i)
inds(i) = Ind(i)
ENDDO
setx = .FALSE.
ENDIF
C REWRITE REACTIONS TO ELIMINATE TRACE ELEMENTS
Nr = Nm - Lsave
IF ( Nr.NE.0 ) THEN
DO k = 1,MAXTR
DO m = 1,MAXTR
Stc(k,m) = 0.0D0
ENDDO
ENDDO
k = 1
DO i = Lsave + 1,Nm
Stc(k,i) = -1.0D0
j = Ind(i)
DO m = 1,Lsave
Stc(k,m) = A(m,j)
ENDDO
k = k + 1
ENDDO
DO i = 1,Nm
IF ( Xs(i).LT.1.0D-10 ) THEN
m = 1
change = .FALSE.
DO 210 j = 1,Nr
coeff = Stc(j,i)
IF ( ABS(coeff).GT.1.0D-05 ) THEN
IF ( .NOT.change ) THEN
change = .TRUE.
DO k = 1,Nm
stcoef(k) = Stc(j,k)/coeff
ENDDO
GOTO 210
ELSE
DO k = 1,Nm
Stc(j,k) = (Stc(j,k)/coeff) - stcoef(k)
ENDDO
ENDIF
ENDIF
DO k = 1,Nm
stcf(m,k) = Stc(j,k)
ENDDO
m = m + 1
210 CONTINUE
DO ii = 1,Nm
DO j = 1,Nr
Stc(j,ii) = stcf(j,ii)
ENDDO
ENDDO
Nr = m - 1
ENDIF
ENDDO
ENDIF
C FIND TRANSPORT DATA FOR IMPORTANT INTERACTIONS
300 DO i = 1,Nm
Con(i) = 0.0
DO j = 1,Nm
Eta(i,j) = 0.0
ENDDO
ENDDO
REWIND IOSCH
DO 400 ir = 1,Ntape
READ (IOSCH) jtape,trc
DO 350 k = 1,2
DO i = 1,Nm
j = Ind(i)
IF ( j.EQ.jtape(k) ) THEN
l = i
IF ( k.EQ.2 ) THEN
kvc = 1
302 kt = 1
IF ( trc(2,1,kvc).NE.0.E0 ) THEN
IF ( trc(2,2,kvc).NE.0.E0 ) THEN
IF ( Tt.GT.trc(2,1,kvc) ) kt = 2
IF ( trc(2,3,kvc).NE.0. ) THEN
IF ( Tt.GT.trc(2,2,kvc) ) kt = 3
ENDIF
ENDIF
prop = EXP(trc(6,kt,kvc)
& +(trc(5,kt,kvc)/Tt+trc(4,kt,kvc))
& /Tt+trc(3,kt,kvc)*Tln)
IF ( kvc.EQ.2 ) THEN
Con(l) = prop
GOTO 400
ELSE
Eta(l,m) = prop
IF ( l.NE.m ) Eta(m,l) = Eta(l,m)
ENDIF
ELSEIF ( kvc.EQ.2 ) THEN
GOTO 400
ENDIF
kvc = 2
GOTO 302
ELSE
m = i
GOTO 350
ENDIF
ENDIF
ENDDO
GOTO 400
350 CONTINUE
400 CONTINUE
C MAKE ESTIMATES FOR MISSING DATA
C
C INCLUDES ION CROSS SECTION ESTIMATES
C ESTIMATES FOR E-ION, ION-ION, E-NEUTRAL, ION-NEUTRAL
C DEBYE SHIELDING WITH IONIC CUTOFF DISTANCE
IF ( Ions ) THEN
te = Tt/1000.D0
ekt = 4.8032D0**2/(Boltz*te)
qc = 100.D0*(ekt**2)
xsel = enel/total
IF ( xsel.LT.1.0D-12 ) xsel = 1.0D-12
debye = ((22.5D0/Pi)*(Rr/Avgdr*100.D0)*(te/xsel))/ekt**3
ionic = ((810.D0/(4.0D0*Pi))*(Rr/Avgdr*100D0)*(te/xsel))
& **(2.0/3.0)/ekt**2
lamda = DSQRT(debye+ionic)
lamda = MAX(lamda,2.71828183D0)
ENDIF
DO i = 1,Nm
k = Ind(i)
Cprr(i) = Cp(k)
IF ( .NOT.(Ions.AND.(DABS(A(Nlm,k)).EQ.1.D0).AND.
& (Eta(i,i).EQ.0.D0)) ) THEN
IF ( Eta(i,i).EQ.0.D0 ) THEN
omega = DLOG(50.D0*Wmol(i)**4.6/Tt**1.4)
omega = MAX(omega,1.D0)
Eta(i,i) = Viscns*DSQRT(Wmol(i)*Tt)/omega
ENDIF
IF ( Con(i).EQ.0.D0 ) Con(i) = Eta(i,i)
& *Rr*(.00375D0+.00132D0*(Cprr(i)-2.5D0))/Wmol(i)
ENDIF
ENDDO
DO i = 1,Nm
DO 450 j = i,Nm
ion1 = .FALSE.
ion2 = .FALSE.
elc1 = .FALSE.
elc2 = .FALSE.
omega = 0.0
IF ( Eta(i,j).EQ.0. ) Eta(i,j) = Eta(j,i)
IF ( Eta(j,i).EQ.0. ) Eta(j,i) = Eta(i,j)
IF ( Eta(i,j).EQ.0. ) THEN
IF ( Ions ) THEN
C ESTIMATE FOR IONS
k1 = Ind(i)
k2 = Ind(j)
IF ( ABS(A(Nlm,k1)).EQ.1.0 ) ion1 = .TRUE.
IF ( ABS(A(Nlm,k2)).EQ.1.0 ) ion2 = .TRUE.
IF ( Wmol(i).LT.1.0 ) elc1 = .TRUE.
IF ( Wmol(j).LT.1.0 ) elc2 = .TRUE.
IF ( ion1.AND.ion2 ) omega = 1.36D0*qc*DLOG(lamda)
IF ( (ion1.AND.elc2).OR.(ion2.AND.elc1) )
& omega = 1.29D0*qc*DLOG(lamda)
IF ( (ion1.AND..NOT.ion2).OR.(ion2.AND..NOT.ion1) )
& omega = EXP(6.776-0.4*Tln)
IF ( omega.NE.0. ) THEN
wmred = DSQRT(2.0*Tt*Wmol(i)*Wmol(j)/(Wmol(i)+Wmol(j)))
Eta(i,j) = Viscns*wmred*Pi/omega
Eta(j,i) = Eta(i,j)
IF ( i.EQ.j ) THEN
Cprr(i) = Cp(k1)
Con(i) = Eta(i,i)
& *Rr*(.00375D0+.00132D0*(Cprr(i)-2.5D0))
& /Wmol(i)
ENDIF
GOTO 450
ENDIF
ENDIF
C ESTIMATE FOR UNLIKE INTERACTIONS FROM RIGID SPHERE ANALOGY
ratio = DSQRT(Wmol(j)/Wmol(i))
Eta(i,j) = 5.656854D0*Eta(i,i)
& *SQRT(Wmol(j)/(Wmol(i)+Wmol(j)))
Eta(i,j) = Eta(i,j)/(1.D0+DSQRT(ratio*Eta(i,i)/Eta(j,j)))**2
Eta(j,i) = Eta(i,j)
ENDIF
450 CONTINUE
ENDDO
RETURN
99001 FORMAT (/' WARNING!! MAXIMUM ALLOWED NO. OF SPECIES',I3,
& ' WAS USED IN ',
& /' TRANSPORT PROPERTY CALCULATIONS FOR POINT',I3,
& '(TRANIN))')
END
SUBROUTINE TRANP
C***********************************************************************
C CALCULATES GAS TRANSPORT PROPERTIES
C
C NUMBER OF GASEOUS SPECIES = NM (MAXIMUM MAXTR)
C NUMBER OF CHEMICAL REACTIONS = NR (NM - NLM)
C ARRAY OF STOICHIOMETRIC COEFFICIENTS = STC
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C LOCAL VARIABLES
INTEGER i,i1,j,jj,k,m,mm,nlmm,nmm
REAL*8 cpreac,delh(MAXTR),gmat(MAXMAT,MAXMAT+1),phi(MAXTR,MAXTR),
& psi(MAXTR,MAXTR),reacon,rtpd(MAXTR,MAXTR),stx(MAXTR),
& stxij(MAXTR,MAXTR),sumc,sumv,wtmol,xskm(MAXTR,MAXTR)
REAL*8 DABS
SAVE cpreac,delh,gmat,i,i1,j,jj,k,m,mm,nlmm,nmm,phi,psi,reacon,
& rtpd,stx,stxij,sumc,sumv,wtmol,xskm
C
CALL TRANIN
C CALCULATE VISCOSITY AND FROZEN THERMAL CONDUCTIVITY
nmm = Nm - 1
DO i = 1,Nm
rtpd(i,i) = 0.D0
phi(i,i) = 1.D0
psi(i,i) = 1.D0
ENDDO
Confro(Npt) = 0.D0
Vis(Npt) = 0.D0
DO i = 1,nmm
i1 = i + 1
CDIR$ IVDEP
DO j = i1,Nm
sumc = 2.D0/(Eta(i,j)*(Wmol(i)+Wmol(j)))
phi(i,j) = sumc*Wmol(j)*Eta(i,i)
phi(j,i) = sumc*Wmol(i)*Eta(j,j)
sumc = (Wmol(i)+Wmol(j))**2
psi(i,j) = phi(i,j)
& *(1.D0+2.41D0*(Wmol(i)-Wmol(j))*(Wmol(i)-.142D0*
& Wmol(j))/sumc)
psi(j,i) = phi(j,i)
& *(1.D0+2.41D0*(Wmol(j)-Wmol(i))*(Wmol(j)-.142D0*
& Wmol(i))/sumc)
ENDDO
ENDDO
DO i = 1,Nm
sumc = 0.D0
sumv = 0.D0
DO j = 1,Nm
sumc = sumc + psi(i,j)*Xs(j)
sumv = sumv + phi(i,j)*Xs(j)
ENDDO
Vis(Npt) = Vis(Npt) + Eta(i,i)*Xs(i)/sumv
Confro(Npt) = Confro(Npt) + Con(i)*Xs(i)/sumc
ENDDO
IF ( Eql.AND.Nr.GT.0 ) THEN
C CALCULATE REACTION HEAT CAPACITY AND THERMAL CONDUCTIVITY
m = Nr + 1
DO i = 1,Nr
delh(i) = 0.0D0
DO k = 1,Lsave
j = Jcm(k)
delh(i) = Stc(i,k)*H0(j) + delh(i)
ENDDO
nlmm = Lsave + 1
DO k = nlmm,Nm
j = Ind(k)
delh(i) = Stc(i,k)*H0(j) + delh(i)
ENDDO
G(i,m) = delh(i)
ENDDO
DO i = 1,MAXTR
DO j = 1,MAXTR
IF ( DABS(Stc(i,j)).LT.1.0D-6 ) Stc(i,j) = 0.0D0
ENDDO
ENDDO
jj = Nm - 1
DO k = 1,jj
mm = k + 1
DO m = mm,Nm
rtpd(k,m) = Wmol(k)*Wmol(m)/(1.1*Eta(k,m)*(Wmol(k)+Wmol(m)))
xskm(k,m) = Xs(k)*Xs(m)
xskm(m,k) = xskm(k,m)
rtpd(m,k) = rtpd(k,m)
ENDDO
ENDDO
DO i = 1,Nr
DO j = i,Nr
G(i,j) = 0.0D0
gmat(i,j) = 0.0D0
ENDDO
ENDDO
DO k = 1,jj
mm = k + 1
DO m = mm,Nm
IF ( Xs(k).GE.1.0D-10.AND.Xs(m).GE.1.0D-10 ) THEN
DO j = 1,Nr
IF ( (Stc(j,k).EQ.0.D0).AND.(Stc(j,m).EQ.0.D0) ) stx(j)
& = 0.D0
IF ( (Stc(j,k).NE.0.D0).OR.(Stc(j,m).NE.0.D0) ) stx(j)
& = Xs(m)*Stc(j,k) - Xs(k)*Stc(j,m)
ENDDO
DO i = 1,Nr
DO j = i,Nr
stxij(i,j) = stx(i)*stx(j)/xskm(k,m)
G(i,j) = G(i,j) + stxij(i,j)
gmat(i,j) = gmat(i,j) + stxij(i,j)*rtpd(k,m)
ENDDO
ENDDO
ENDIF
ENDDO
ENDDO
m = 1 + Nr
DO i = 1,Nr
CDIR$ IVDEP
DO j = i,Nr
G(j,i) = G(i,j)
ENDDO
G(i,m) = delh(i)
ENDDO
Imat = Nr
CALL GAUSS
cpreac = 0.D0
DO i = 1,Nr
G(i,m) = delh(i)
cpreac = cpreac + R*delh(i)*X(i)
CDIR$ IVDEP
DO j = i,Nr
G(i,j) = gmat(i,j)
G(j,i) = G(i,j)
ENDDO
ENDDO
CALL GAUSS
reacon = 0.D0
DO i = 1,Nr
reacon = reacon + R*delh(i)*X(i)
ENDDO
reacon = .6D0*reacon
ELSE
cpreac = 0.D0
reacon = 0.D0
ENDIF
C CALCULATE OTHER ANSWERS
Cpfro(Npt) = 0.D0
wtmol = 0.D0
DO i = 1,Nm
Cpfro(Npt) = Cpfro(Npt) + Xs(i)*Cprr(i)
wtmol = wtmol + Xs(i)*Wmol(i)
ENDDO
Cpfro(Npt) = Cpfro(Npt)*R/wtmol
Confro(Npt) = Confro(Npt)/1000.D0
IF ( .NOT.Siunit ) Confro(Npt) = Confro(Npt)/4.184D0
Vis(Npt) = Vis(Npt)/1000.D0
Prfro(Npt) = Vis(Npt)*Cpfro(Npt)/Confro(Npt)
IF ( Eql ) THEN
cpreac = cpreac/wtmol
reacon = reacon/1000.D0
Cpeql(Npt) = cpreac + Cpfro(Npt)
Coneql(Npt) = Confro(Npt) + reacon
Preql(Npt) = Vis(Npt)*Cpeql(Npt)/Coneql(Npt)
ENDIF
END
SUBROUTINE UTHERM(Readok)
C***********************************************************************
C READ THERMO DATA FROM I/O UNIT 7 IN RECORD FORMAT AND WRITE
C UNFORMATTED ON I/O UNIT IOTHM. DATA ARE REORDERED GASES FIRST.
C
C USES SCRATCH I/O UNIT IOSCH.
C
C UTHERM IS CALLED FROM SUBROUTINE INPUT.
C
C NOTE: THIS ROUTINE MAY BE CALLED DIRECTLY AND USED BY ITSELF TO
C PROCESS THE THERMO DATA.
C
C GASEOUS SPECIES:
C THE STANDARD TEMPERATURE RANGES TGL ARE GIVEN ON THE FIRST
C RECORD, FOLLOWED BY THE DATE OF THE LAST DATA CHANGE THDATE.
C
C WHEN COEFFICIENTS ARE NOT GIVEN FOR THE THIRD TEMPERATURE
C INTERVAL, A STRAIGHT LINE FOR CP/R IS USED. FOR HIGH TEMPS,
C THE EXTRAPOLATION GOES BETWEEN THE LAST POINT GIVEN AND THE
C FOLLOWING VALUES AA AT TINF=1.D06 K:
C MONATOMICS 2.5
C DIATOMICS 4.5
C POLYATOMICS 3*N-1.75 (AVERAGE 1.5 AND 2)
C
C THE FOLLOWING EXTRAPOLATION IS NOT CURRENTLY PROGRAMED (12/9/98):
C FOR LOW TEMPS, THE EXTRAPOLATION GOES BETWEEN THE FIRST VALUE
C DOWN TO THE FOLLOWING VALUES AA AT 0 K:
C MONATOMICS 2.5
C DIATOMICS 3.5
C POLYATOMICS 3.75 (AVERAGE 3.5 AND 4.0)
C
C IF DATA ARE AVAILABLE FOR THE THIRD T INTERVAL, IFAZ (SEE
C DEFINITION) IS SET TO -1 AND THE NAME IS ALTERED TO START WITH *.
C
C CONDENSED SPECIES:
C NO EXTRAPOLATIONS ARE DONE. TEMP INTERVALS VARY.
C
C SOME DEFINITIONS:
C TGL(I) - TEMPERATURE INTERVALS FOR GASES (I.E. 200,1000,6000,20000).
C FILL(I) - IF TRUE, DATA MISSING FOR INTERVAL. CURRENTLY ONLY 3RD
C INTERVAL CHECKED.
C NGL - NUMBER OF GASEOUS PRODUCTS.
C NS - NGL + NUMBER OF CONDENSED PRODUCT PHASES.
C NALL - NS + NUMBER OF REACTANT SPECIES.
C IFAZ - PHASE INDICATOR. GASES ARE 0, CONDENSED PHASES ARE NUMBERED
C STARTING WITH 1 FOR THE LOWEST T RANGE, 2 FOR THE NEXT
C CONTIGUOUS PHASE, ETC.
C NTL - NUMBER OF T INTERVALS FOR A SPECIES SET.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C DUMMY ARGUMENTS
LOGICAL Readok
C LOCAL VARIABLES
CHARACTER*15 name
CHARACTER*16 namee
CHARACTER*65 notes
CHARACTER*2 sym(5)
CHARACTER*6 date
INTEGER i,ifaz,ifzm1,inew,int,j,k,kk,l,nall,ncoef,ngl,ns,ntl
INTEGER INDEX
LOGICAL fill(3)
REAL*8 aa,atms,cpfix,dlt,expn(8),fno(5),hform,hh,mwt,templ(9),tex,
& tgl(4),thermo(9,3),tinf,tl(2),ttl,tx
REAL*8 DBLE,DLOG
C
ngl = 0
ns = 0
nall = 0
ifzm1 = 0
inew = 0
tinf = 1.D06
REWIND IOSCH
READ (IOINP,99001) tgl,Thdate
100 DO i = 1,3
fill(i) = .TRUE.
DO j = 1,9
thermo(j,i) = 0.
ENDDO
ENDDO
hform = 0.
tl(1) = 0.
tl(2) = 0.
READ (IOINP,99002,END=300,ERR=400) name,notes
IF ( name(:3).EQ.'END'.OR.name(:3).EQ.'end' ) THEN
IF ( INDEX(name,'ROD').EQ.0.AND.INDEX(name,'rod').EQ.0 )
& GOTO 300
ns = nall
GOTO 100
ENDIF
READ (IOINP,99003,ERR=400) ntl,date,(sym(j),fno(j),j=1,5),
& ifaz,mwt,hform
WRITE (IOOUT,99004) name,date,hform,notes
C IF NTL=0, REACTANT WITHOUT COEFFICIENTS
IF ( ntl.EQ.0 ) THEN
IF ( ns.EQ.0 ) GOTO 300
nall = nall + 1
READ (IOINP,99005,ERR=400) tl,ncoef,expn,hh
thermo(1,1) = hform
WRITE (IOSCH) name,ntl,date,(sym(j),fno(j),j=1,5),ifaz,tl,mwt,
& thermo
GOTO 100
ELSEIF ( name.EQ.'Air' ) THEN
sym(1) = 'N'
fno(1) = 1.56168D0
sym(2) = 'O'
fno(2) = .419590D0
sym(3) = 'AR'
fno(3) = .009365D0
sym(4) = 'C'
fno(4) = .000319D0
ELSEIF ( name.EQ.'e-' ) THEN
mwt = 5.48579903D-04
ENDIF
DO 200 i = 1,ntl
READ (IOINP,99005,ERR=400) tl,ncoef,expn,hh
READ (IOINP,99006,ERR=400) templ
IF ( ifaz.EQ.0.AND.i.GT.3 ) GOTO 400
IF ( ifaz.LE.0 ) THEN
IF ( tl(2).GT.tgl(4)-.01D0 ) THEN
ifaz = -1
namee = '*'//name
name = namee(:15)
ENDIF
IF ( tl(1).GE.tgl(i+1) ) GOTO 200
int = i
fill(i) = .FALSE.
ELSE
int = 1
IF ( i.GT.1 ) THEN
DO k = 1,7
thermo(k,1) = 0.D0
ENDDO
ENDIF
ENDIF
DO 150 l = 1,ncoef
DO k = 1,7
IF ( expn(l).EQ.DBLE(k-3) ) THEN
thermo(k,int) = templ(l)
GOTO 150
ENDIF
ENDDO
150 CONTINUE
thermo(8,int) = templ(8)
thermo(9,int) = templ(9)
IF ( ifaz.GT.0 ) THEN
nall = nall + 1
IF ( ifaz.GT.ifzm1 ) THEN
inew = inew + 1
ELSE
inew = i
ENDIF
WRITE (IOSCH) name,ntl,date,(sym(j),fno(j),j=1,5),inew,tl,mwt,
& thermo
ENDIF
200 CONTINUE
ifzm1 = ifaz
IF ( ifaz.LE.0 ) THEN
inew = 0
nall = nall + 1
IF ( ifaz.LE.0.AND.ns.EQ.0 ) THEN
ngl = ngl + 1
IF ( fill(3) ) THEN
atms = 0.
DO i = 1,5
IF ( sym(i).EQ.' '.OR.sym(i).EQ.'E' ) GOTO 210
atms = atms + fno(i)
ENDDO
C FOR GASES WITH NO COEFFICIENTS FOR TGL(3)-TGL(4) INTERVAL,
C CALCULATE ESTIMATED COEFFICIENTS. (STRAIGHT LINE FOR CP/R)
210 aa = 2.5D0
IF ( atms.GT.1.9 ) aa = 4.5D0
IF ( atms.GT.2.1 ) aa = 3.*atms - 1.75D0
ttl = tl(2)
tx = ttl - tinf
cpfix = 0
templ(8) = 0.
templ(9) = 0.
dlt = DLOG(ttl)
DO k = 7,1, - 1
kk = k - 3
IF ( kk.EQ.0 ) THEN
cpfix = cpfix + thermo(k,2)
templ(8) = templ(8) + thermo(k,2)
templ(9) = templ(9) + thermo(k,2)*dlt
ELSE
tex = ttl**kk
cpfix = cpfix + thermo(k,2)*tex
templ(9) = templ(9) + thermo(k,2)*tex/kk
IF ( kk.EQ.-1 ) THEN
templ(8) = templ(8) + thermo(k,2)*dlt/ttl
ELSE
templ(8) = templ(8) + thermo(k,2)*tex/(kk+1)
ENDIF
ENDIF
ENDDO
templ(2) = (cpfix-aa)/tx
thermo(4,3) = templ(2)
templ(1) = cpfix - ttl*templ(2)
thermo(3,3) = templ(1)
thermo(8,3) = thermo(8,2)
& + ttl*(templ(8)-templ(1)-.5*templ(2)*ttl)
thermo(9,3) = -templ(1)*dlt + thermo(9,2) + templ(9)
& - templ(2)*ttl
ENDIF
ENDIF
C WRITE COEFFICIENTS ON SCRATCH I/O UNIT IOSCH
WRITE (IOSCH) name,ntl,date,(sym(j),fno(j),j=1,5),ifaz,tl,mwt,
& thermo
ENDIF
GOTO 100
C END OF DATA. COPY CONDENSED & REACTANT DATA FROM IOSCH & ADD TO IOTHM.
300 REWIND IOSCH
IF ( ns.EQ.0 ) ns = nall
WRITE (IOTHM) tgl,ngl,ns,nall,Thdate
C WRITE GASEOUS PRODUCTS ON IOTHM
IF ( ngl.NE.0 ) THEN
DO i = 1,ns
READ (IOSCH) name,ntl,date,(sym(j),fno(j),j=1,5),ifaz,tl,mwt,
& thermo
IF ( ifaz.LE.0 ) WRITE (IOTHM) name,ntl,date,
& (sym(j),fno(j),j=1,5),ifaz,tl,mwt,
& thermo
ENDDO
ENDIF
IF ( ngl.NE.nall ) THEN
C WRITE CONDENSED PRODUCTS AND REACTANTS ON IOTHM
REWIND IOSCH
DO i = 1,nall
READ (IOSCH) name,ntl,date,(sym(j),fno(j),j=1,5),ifaz,tl,mwt,
& thermo
IF ( i.GT.ns ) THEN
WRITE (IOTHM) name,ntl,date,(sym(j),fno(j),j=1,5),ifaz,tl,
& mwt,thermo(1,1)
IF ( ntl.GT.0 ) WRITE (IOTHM) thermo
ELSEIF ( ifaz.GT.0 ) THEN
WRITE (IOTHM) name,ntl,date,(sym(j),fno(j),j=1,5),ifaz,tl,
& mwt,(thermo(k,1),k=1,9)
ENDIF
ENDDO
ENDIF
RETURN
400 WRITE (IOOUT,99007) name
Readok = .FALSE.
RETURN
99001 FORMAT (4F10.3,a10)
99002 FORMAT (a15,a65)
99003 FORMAT (i2,1x,a6,1x,5(a2,f6.2),i2,f13.5,f15.3)
99004 FORMAT (' ',a15,2x,a6,e15.6,2x,a65)
99005 FORMAT (2F11.3,i1,8F5.1,2x,f15.3)
99006 FORMAT (5D16.8/2D16.8,16x,2D16.8)
99007 FORMAT (/' ERROR IN PROCESSING thermo.inp AT OR NEAR ',A15,
& ' (UTHERM)')
END
SUBROUTINE UTRAN(Readok)
C***********************************************************************
C READ TRANSPORT PROPERTIES FORM I/O UNIT 7 IN RECORD FORMAT AND WRITE
C UNFORMATTED ON I/O UNIT IOTRN. USES SCRATCH I/O UNIT IOSCH.
C
C UTRAN IS CALLED FROM SUBROUTINE INPUT AFTER A RECORD WITH 'tran'
C IN COLUMNS 1-4 HAS BEEN READ.
C
C NOTE: THIS ROUTINE MAY BE CALLED DIRECTLY AND USED BY ITSELF TO
C PROCESS THE TRANSPORT PROPERTY DATA.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C DUMMY ARGUMENTS
LOGICAL Readok
C LOCAL VARIABLES
CHARACTER*16 tname(2)
CHARACTER*1 vorc
INTEGER i,ic,in,iv,j,k,ncc,nn,ns,nv
REAL*8 cc,tc(36),tcin(6),trcoef(6,3,2),vvl
C
EQUIVALENCE (tc(1),trcoef(1,1,1))
ns = 0
REWIND IOSCH
100 DO i = 1,36
tc(i) = 0.
ENDDO
READ (IOINP,99001) tname,vvl,nv,cc,ncc
IF ( tname(1).EQ.'end'.OR.tname(1).EQ.'LAST' ) THEN
WRITE (IOTRN) ns
REWIND IOSCH
DO i = 1,ns
READ (IOSCH,ERR=200) tname,trcoef
WRITE (IOTRN) tname,trcoef
ENDDO
GOTO 300
ELSE
ic = 0
iv = 0
nn = nv + ncc
IF ( nv.LE.3.AND.ncc.LE.3 ) THEN
DO in = 1,nn
READ (IOINP,99002) vorc,tcin
IF ( vorc.EQ.'C' ) THEN
k = 2
ic = ic + 1
j = ic
ELSE
k = 1
iv = iv + 1
j = iv
ENDIF
IF ( j.GT.3 ) GOTO 200
DO i = 1,6
trcoef(i,j,k) = tcin(i)
ENDDO
ENDDO
ns = ns + 1
WRITE (IOSCH) tname,trcoef
GOTO 100
ENDIF
ENDIF
200 WRITE (IOOUT,99003) tname
Readok = .FALSE.
300 RETURN
99001 FORMAT (2A16,2X,A1,I1,A1,I1)
99002 FORMAT (1X,A1,2F9.2,4E15.8)
99003 FORMAT (/' ERROR IN PROCESSING trans.inp AT OR NEAR (UTRAN)',/1X,
& 2A16)
END
SUBROUTINE VARFMT(Vx)
C***********************************************************************
C SET DECIMAL PLACES ACCORDING TO NUMBER SIZE FOR F-FORMAT IN
C VARIABLE FORMAT FMT.
C***********************************************************************
IMPLICIT NONE
INCLUDE 'cea.inc'
C DUMMY ARGUMENTS
REAL*8 Vx(NCOL)
C LOCAL VARIABLES
INTEGER i,k
REAL*8 vi
REAL*8 DABS
SAVE i,k,vi
C
DO i = 1,Npt
vi = DABS(Vx(i))
k = 2*i + 3
Fmt(k) = '5,'
IF ( vi.GE.1. ) Fmt(k) = '4,'
IF ( vi.GE.10. ) Fmt(k) = '3,'
IF ( vi.GE.100. ) Fmt(k) = '2,'
IF ( vi.GE.10000. ) Fmt(k) = '1,'
IF ( vi.GE.1000000. ) Fmt(k) = '0,'
ENDDO
Fmt(29)(2:) = ' '
END
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