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PROGRAM OLDNEW
C Program converts a file of multiple old form NASA coefficients
C to new file of multiple new form NASA coefficients. All gases
C are converted to a two-range version of new form (numint=2)
C with 1000 as the common temperature (Tcom). Condensed species
C in sequence produce a series (phase=1,2,3..) of new form
C coefficients in order of increasing temperature.
C
C The output goes to a file organized as:
C Rec 1
C col 1-16 name
C col 17-24 blank
C col 25-80 comments (not available from old form)
C Rec 2
C col 1 blank
C col 2 number of temperature intervals (numint)
C col 3 blank
C col 4-7 (code)
C col 8-9 (date)
C col 10 blank
C col 11-50 formula ( 5(A2,F6.2) )
C (el1,n1,el2,n2,el3,n3,el4,n4,el5,n5)
C col 51 blank
C col 52 (phase) See below for code.
C col 53-65 molecular weight (molwgt).
C col 66-80 heat of formation in J/mol (htform)
C Rec 3
C col 1 blank
C col 2-11 low temp of first interval (Tlow)
C col 12-21 high temp of first interval (Tcom)
C col 22 blank
C col 23 Number of Coefficients for Cp
C col 24-63 T exponents (ex = 0,1,2,3,4,5,0,0)
C col 66-80 H-HO at 298.15 J/mole (rh)
C (not available on old form)
C Rec 4
C col 1-80 first 5 coefficients
C (alow, blow, clow, dlow, elow)
C Rec 5
C col 1-48 last 3 coefficients (xlow, ylow, zlow)
C (not available on old form)
C col 49-80 Integration constants (flow, glow)
C Rec 6
C col 1 blank
C col 2-11 low temp of second interval (Tcom)
C col 12-21 high temp of second interval (Thi)
C col 22 blank
C col 23 Number of Coefficients for Cp
C col 24-63 T exponents (ex = 0,1,2,3,4,5,0,0)
C col 66-80 H-HO at 298.15 J/mole (rh)
C (not available on old form)
C Rec 7
C col 1-80 first 5 coefficients
C (ahi, bhi, chi, dhi, ehi)
C Rec 8
C col 1-48 last 3 coefficients (xhi, yhi, zhi)
C (not available on old form)
C col 49-80 Integration constants (fhi, ghi)
C
C Data from records beyond 8 are not used in the old form.
C
C The input comes from a file organized as:
C Rec 1
C col 1-16 (name)
C col 17-18 blank
C col 19-22 (code)
C col 23-24 (date)
C col 25-44 formula ( 4(A2,F3.0) )
C (el1,n1,el2,n2,el3,n3,el4,n4)
C col 45 (phase) See code below.
C col 46-55 low temp of low range (Tlow)
C col 56-65 high temp of high range (Thi)
C col 66-78 molecular weight (molwgt)
C col 79 blank
C col 80 blank (might hold integer '1')
C Rec 2
C col 1-15 coefficient (ahi)
C col 16-30 coefficient (bhi)
C col 31-45 coefficient (chi)
C col 45-60 coefficient (dhi)
C col 61-75 coefficient (ehi)
C col 76-79 blank
C col 80 blank (might hold integer '2')
C Rec 3
C col 1-15 coefficient (fhi)
C col 16-30 coefficient (ghi)
C col 31-45 coefficient (alow)
C col 46-60 coefficient (blow)
C col 61-75 coefficient (clow)
C col 76-79 blank
C col 80 blank (might hold integer '3')
C Rec 4
C col 1-15 coefficient (dlow)
C col 16-30 coefficient (elow)
C col 31-45 coefficient (flow)
C col 46-60 coefficient (glow)
C col 61-75 heat of formation/R in K (htform)
C col 76-79 blank
C col 80 blank (might hold integer '4')
character*1 phase, phaseo
character*2 date,el1,el2,el3,el4,el5
character*2 el1sav,el2sav,el3sav,el4sav
character*4 code
character*18 name
integer numint
real n1,n2,n3,n4,n5
real n1sav,n2sav,n3sav,n4sav,ex(8)
real*8 molwgt,htform,Tlow,Tcom,Thi, Tprvhi
real*8 alow,blow,clow,dlow,elow,flow,glow,xlow
real*8 ahi,bhi,chi,dhi,ehi,fhi,ghi,xhi
data ex/0,1,2,3,4,5,0,0/
C****************************************************************
C Input data from four old form records.
5 read(5,50,end=100) name,code,date,el1,n1,el2,n2,el3,n3,el4,n4,
+ phase,Tlow,Thi,molwgt
50 format( A18,A4,A2,4(A2,F3.0),A1,2F10.3,F13.5,1X,1X)
C Note: An isotope code might be in col 17-18 of old form.
C This item is not used in new form so it is overlooked.
read(5,60) ahi,bhi,chi,dhi,ehi
60 format( 5(E15.8),4X,1X )
read(5,60) fhi,ghi,alow,blow,clow
read(5,60) dlow,elow,flow,glow,htform
C*****************************************************************
C In the new form, the phase is coded 0 => gas (G)
C 1 => lowest T condensed phase
C 2 => next T condensed phase
C 3 => next T condensed phase
C etc.
C In the old form, the phase is coded G => gas
C C => condensed
C The following transforms this code
if (phase .eq. 'G') then
phase = '0'
else
if ( el1 .EQ. el1sav .AND.
+ el2 .EQ. el2sav .AND.
+ el3 .EQ. el3sav .AND.
+ el4 .EQ. el4sav .AND.
+ n1 .EQ. n1sav .AND.
+ n2 .EQ. n2sav .AND.
+ n3 .EQ. n3sav .AND.
+ n4 .EQ. n4sav .AND.
+ Tlow .EQ. Tprvhi ) then
if (phaseo .EQ. '6') stop
if (phaseo .EQ. '5') phase = '6'
if (phaseo .EQ. '4') phase = '5'
if (phaseo .EQ. '3') phase = '4'
if (phaseo .EQ. '2') phase = '3'
if (phaseo .EQ. '1') phase = '2'
else
phase = '1'
endif
C Save formula, phase, and Thi for next cycle
el1sav = el1
el2sav = el2
el3sav = el3
el4sav = el4
n1sav = n1
n2sav = n2
n3sav = n3
n4sav = n4
phaseo = phase
Tprvhi = Thi
endif
C***** end of phase conversion **********************************
if (Thi .LE. 1000) then
numint = 1
Tcom = Thi
endif
if (Tlow .GE. 1000) then
numint = 1
Tcom = Thi
alow = ahi
blow = bhi
clow = chi
dlow = dhi
elow = ehi
flow = fhi
glow = ghi
endif
if ((Tlow .LT. 1000) .AND. (Thi .GT. 1000)) then
numint = 2
Tcom = 1000
endif
C The values of xlow and xhi never appear in the old form.
C They are here set to zero for the new form.
xlow = 0.0
xhi = 0.0
C The values of el5 and n5 do not appear in the old form.
C They are set to blank and zero for the new form.
el5 = ' '
n5 = 0
C Output data to eight (or five) new form records.
write(6,10) name
10 format( A18)
htform = htform * 8.31451d0
write(6,20) numint,code,date,el1,n1,el2,n2,el3,n3,el4,n4,el5,n5,
+ phase,molwgt,htform
20 format( 1X, I1,1X,A4,A2,1X,5(A2,F6.2 ),1X,A1,F13.5,f15.3 )
write(6,30) Tlow,Tcom,ex,alow,blow,clow,dlow,elow,flow,glow
30 format( 1X,2F10.3,' 5',8f5.1,1p/5d16.8/48x,2d16.8)
if (numint .EQ. 2) then
write(6,30) Tcom,Thi,ex,ahi,bhi,chi,dhi,ehi,fhi,ghi
endif
goto 5
100 stop
end
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