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/*============================================================================
* Surface roughness
*============================================================================*/
/*
This file is part of Code_Saturne, a general-purpose CFD tool.
Copyright (C) 1998-2016 EDF S.A.
This program is free software; you can redistribute it and/or modify it under
the terms of the GNU General Public License as published by the Free Software
Foundation; either version 2 of the License, or (at your option) any later
version.
This program is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
details.
You should have received a copy of the GNU General Public License along with
this program; if not, write to the Free Software Foundation, Inc., 51 Franklin
Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
/*----------------------------------------------------------------------------*/
#include "cs_defs.h"
/*----------------------------------------------------------------------------
* Standard C library headers
*----------------------------------------------------------------------------*/
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <float.h>
#include <assert.h>
/*----------------------------------------------------------------------------
* Local headers
*----------------------------------------------------------------------------*/
#include "bft_printf.h"
#include "bft_error.h"
#include "bft_mem.h"
#include "fvm_periodicity.h"
#include "cs_base.h"
#include "cs_interface.h"
#include "cs_mesh.h"
#include "cs_mesh_quantities.h"
#include "cs_parall.h"
#include "cs_prototypes.h"
#include "cs_search.h"
#include "cs_halo.h"
#include "cs_lagr_dlvo.h"
#include "cs_lagr.h"
/*----------------------------------------------------------------------------
* Header for the current file
*----------------------------------------------------------------------------*/
#include "cs_lagr_roughness.h"
/*----------------------------------------------------------------------------*/
BEGIN_C_DECLS
/*! \cond DOXYGEN_SHOULD_SKIP_THIS */
/*============================================================================
* Local macro declarations
*============================================================================*/
#define PG_CST 8.314 /* Ideal gas constant */
/*============================================================================
* Local structure declarations
*============================================================================*/
static cs_lagr_roughness_param_t _lagr_roughness_param
= {.water_permit = 0,
.ionic_strength = 0,
.phi_p = 0,
.phi_s = 0,
.temperature = NULL,
.valen = 0,
.debye_length = NULL,
.cstham = 0,
.lambda_vdw = 0,
.espasg = 0,
.denasp = 0,
.rayasp = 0,
.rayasg = 0};
cs_lagr_roughness_param_t *cs_lagr_roughness_param = &_lagr_roughness_param;
/*============================================================================
* Static global variables
*============================================================================*/
static const double _pi = 3.14159265358979323846;
/* Free space permittivity */
static const cs_real_t _free_space_permit = 8.854e-12;
/* Faraday constant */
static const cs_real_t _faraday_cst = 9.648e4;
/*! (DOXYGEN_SHOULD_SKIP_THIS) \endcond */
/*============================================================================
* Public function definitions
*============================================================================*/
/*----------------------------------------------------------------------------
* Roughness initialization:
* - Retrieve various parameters for storing in global structure
* - Compute and store the Debye screening length
*----------------------------------------------------------------------------*/
void
roughness_init (const cs_real_t *water_permit,
const cs_real_t *ionic_strength,
const cs_real_t temperature[],
const cs_real_t *valen,
const cs_real_t *phi_p,
const cs_real_t *phi_s,
const cs_real_t *cstham,
const cs_real_t *lambda_vdw,
const cs_real_t *espasg,
const cs_real_t *denasp,
const cs_real_t *rayasp,
const cs_real_t *rayasg)
{
int iel;
const cs_mesh_t *mesh = cs_glob_mesh;
/* Retrieve physical parameters related to clogging modeling */
/* and fill the global structure cs_lagr_clog_param */
cs_lagr_roughness_param->water_permit = *water_permit;
cs_lagr_roughness_param->ionic_strength = *ionic_strength;
cs_lagr_roughness_param->valen = *valen;
cs_lagr_roughness_param->phi_p = *phi_p;
cs_lagr_roughness_param->phi_s = *phi_s;
cs_lagr_roughness_param->cstham = *cstham;
cs_lagr_roughness_param->cstham = *lambda_vdw;
cs_lagr_roughness_param->espasg = *espasg;
cs_lagr_roughness_param->denasp = *denasp;
cs_lagr_roughness_param->rayasp = *rayasp;
cs_lagr_roughness_param->rayasg = *rayasg;
/* Allocate memory for the temperature and Debye length arrays */
if (cs_lagr_roughness_param->temperature == NULL)
BFT_MALLOC(cs_lagr_roughness_param->temperature, mesh->n_cells, cs_real_t);
if (cs_lagr_roughness_param->debye_length == NULL)
BFT_MALLOC(cs_lagr_roughness_param->debye_length, mesh->n_cells, cs_real_t);
/* Store the temperature */
for (iel = 0; iel < mesh->n_cells; iel++)
cs_lagr_roughness_param->temperature[iel] = temperature[iel];
/* Computation and storage of the Debye length */
for (iel = 0; iel < mesh->n_cells ; iel++)
cs_lagr_roughness_param->debye_length[iel]
= pow(2e3 * pow(_faraday_cst,2)
* cs_lagr_roughness_param->ionic_strength /
(cs_lagr_roughness_param->water_permit
* _free_space_permit * PG_CST
* cs_lagr_roughness_param->temperature[iel]), -0.5);
#if 0 && defined(DEBUG) && !defined(NDEBUG)
bft_printf(" epseau = %g\n", cs_lagr_roughness_param->water_permit);
bft_printf(" fion = %g\n", cs_lagr_roughness_param->ionic_strength);
bft_printf(" temp[1] = %g\n", cs_lagr_roughness_param->temperature[0]);
bft_printf(" valen = %g\n", cs_lagr_roughness_param->valen);
bft_printf(" debye[1] = %g\n", cs_lagr_roughness_param->debye_length[0]);
bft_printf(" phi_p = %g\n", cs_lagr_roughness_param->phi_p);
bft_printf(" phi_s = %g\n", cs_lagr_roughness_param->phi_s);
#endif
}
/*----------------------------------------------------------------------------
* Deallocate the arrays storing temperature and Debye length.
*----------------------------------------------------------------------------*/
void
cs_lagr_roughness_finalize()
{
BFT_FREE(cs_lagr_roughness_param->temperature);
BFT_FREE(cs_lagr_roughness_param->debye_length);
}
/*----------------------------------------------------------------------------
* Compute the energy barrier for a rough wall.
*
* parameters:
* particle <-- pointer to particle data
* attr_map <-- pointer to attribute map
* iel <-- id of cell where the particle is
* energy_barrier <-> energy barrier
*----------------------------------------------------------------------------*/
void
cs_lagr_roughness_barrier(const void *particle,
const cs_lagr_attribute_map_t *attr_map,
cs_lnum_t iel,
cs_real_t *energy_barrier)
{
cs_int_t i, dim_aux = 1 ;
cs_real_t param2, value;
cs_lnum_t param1,contact,compt_max;
cs_lnum_t iclas, ints, np, iasp;
cs_real_t rpart2[2],udlvor[500];
cs_real_t distasp, posasp1[2000],posasp2[2000],posasp3[2000],posasp4[2000],disminp;
cs_real_t scov[2], seff[1];
cs_lnum_t nbtemp[12000];
cs_lnum_t nbasp[1], nclas, nbaspt[1], nasptot;
cs_real_t*random;
cs_lnum_t one = 1;
contact = 0;
compt_max = 5000;
/* Computation of the surface coverage */
nclas = 2;
cs_real_t scovtot = 0.;
for (iclas = 0; iclas < nclas; iclas++) {
scov[0] = _pi * pow(cs_lagr_roughness_param->rayasg, 2)
/ pow(cs_lagr_roughness_param->espasg, 2);
scov[1] = cs_lagr_roughness_param->denasp
* _pi * pow(cs_lagr_roughness_param->rayasp, 2);
scovtot = scovtot + scov[iclas];
rpart2[0] = cs_lagr_roughness_param->rayasg;
rpart2[1] = cs_lagr_roughness_param->rayasp;
}
cs_real_t rpart = cs_lagr_particle_get_real(particle, attr_map, CS_LAGR_DIAMETER) * 0.5;
/* Creation of asperities */
for (iclas = 0; iclas < nclas; iclas++) {
seff[iclas] = 0.;
nbasp[iclas] = 0;
}
nasptot = 0;
cs_lnum_t nasp = 0;
cs_real_t dismin = 0.;
for (iclas = 0; iclas < nclas; iclas++) {
rpart2[0] = cs_lagr_roughness_param->rayasg;
rpart2[1] = cs_lagr_roughness_param->rayasp;
seff[iclas] = 2.5 * _pi * (2. * rpart + rpart2[iclas] + 10. * cs_lagr_roughness_param->debye_length[iel])
* ( rpart2[iclas] + 10. * cs_lagr_roughness_param->debye_length[iel] );
value = 700.;
cs_real_t value2 = seff[iclas] * scov[iclas] / _pi / pow(rpart2[iclas],2) ;
if (value2 > 700) {
param1 = value2 / 700;
param2 = fmod(value2 , 700.);
CS_PROCF(fische, FISCHE)(&dim_aux, ¶m2, nbaspt);
CS_PROCF(fische, FISCHE)(¶m1, &value , nbtemp);
for (ints = 0; ints < param1; ints++) {
nbaspt[0] = nbaspt[0] + nbtemp[ints];
}
nbasp[iclas] = nbaspt[0];
}
else
{
CS_PROCF(fische, FISCHE)(&dim_aux, &value2 , nbaspt);
nbasp[iclas] = nbaspt[0];
}
/* Placement of asperities */
cs_lnum_t iboucle;
for (i = 0; i < nbasp[iclas];i++) {
iboucle = 0;
do {
contact = 0;
BFT_MALLOC(random,1,cs_real_t);
CS_PROCF(zufall, ZUFALL)(&one, random);
posasp1[i + nasptot] = pow(seff[iclas] /_pi, 0.5) * (*random);
posasp2[i + nasptot] = 2 * _pi * (*random);
posasp3[i + nasptot] = 0.;
posasp4[i + nasptot] = rpart2[iclas];
BFT_FREE(random);
/* No contact between two asperities of a same class */
for (iasp = 0; iasp < nasp - nasptot; iasp++) {
distasp = pow(posasp1[i + nasptot] * cos(posasp2[i + nasptot])- posasp1[iasp + nasptot] * cos(posasp2[iasp + nasptot]),2)
+ pow(posasp1[i + nasptot] * sin(posasp2[i + nasptot]) - posasp1[iasp + nasptot] * sin(posasp2[iasp + nasptot]),2)
+ pow( posasp3[iasp + nasptot] - posasp3[i + nasptot],2) ;
if (distasp < pow(posasp4[iasp + nasptot] + posasp4[i + nasptot],2)) {
iboucle = iboucle + 1;
contact = contact + 1;
}
}
}while (contact != 0 && iboucle < compt_max);
if (iboucle > compt_max) {
BFT_MALLOC(random,1,cs_real_t);
CS_PROCF(zufall, ZUFALL)(&one, random);
posasp1[i + nasptot] = pow(seff[iclas] / _pi,0.5) * 2.;
posasp2[i + nasptot] = 2 * _pi * (*random);
posasp3[i + nasptot] = 0.;
posasp4[i + nasptot] = rpart2[iclas];
BFT_FREE(random);
}
/* No contact between two asperities of various class */
for (iasp = 0; iasp < nasptot; iasp++) {
distasp = pow( posasp1[i + nasptot] * cos(posasp2[i+nasptot])- posasp1[iasp] * cos(posasp1[iasp]),2) +
pow( posasp1[i+nasptot]* sin(posasp2[i+nasptot])
- posasp1[iasp] * sin(posasp2[iasp]),2) + pow( posasp3[iasp] - posasp3[i+nasptot] ,2) ;
if( distasp < pow(posasp4[iasp],2) && pow(posasp3[i + nasptot],2) <
(pow(posasp4[iasp],2) - distasp)) {
posasp3[i + nasptot] = pow(pow(posasp4[iasp],2) - distasp,0.5) + posasp3[iasp];
}
}
nasp = nasp + 1;
}
/* Number of asperities on the surface */
nasptot = nasptot + nbasp[iclas];
/* End of the loop on asperity size */
}
/* Determination of the mimnimal distance*/
for (iasp = 0 ; iasp < nasptot;iasp++) {
if ( posasp1[iasp] < (rpart + posasp4[iasp])) {
disminp = pow( pow(rpart + posasp4[iasp],2)- pow(posasp1[iasp],2) ,0.5)- rpart + posasp3[iasp];
}
else {
disminp = 0.;
}
if (disminp > dismin) {
dismin = disminp;
}
}
/* Calculation of the energy barrier */
/* Loop on the separation distance */
for (np = 0; np < 500; np++) {
udlvor[np] = 0.;
cs_real_t distp = dismin + (np + 1) * cs_lagr_roughness_param->debye_length[iel]/30.0;
/* DLVO between the particle and the rough plate */
/* Sum of the interaction {particle-plate} and {particule-asperity} */
/* Sphere-plate interaction */
cs_real_t var1 = cs_lagr_van_der_waals_sphere_plane(distp,
rpart,
cs_lagr_roughness_param->cstham,
cs_lagr_roughness_param->lambda_vdw);
cs_real_t var2 = cs_lagr_edl_sphere_plane(distp,
rpart,
cs_lagr_roughness_param->valen,
cs_lagr_roughness_param->phi_p,
cs_lagr_roughness_param->phi_s,
cs_lagr_roughness_param->temperature[iel],
cs_lagr_roughness_param->debye_length[iel],
cs_lagr_roughness_param->water_permit);
udlvor[np] = (var1 + var2) * (1. - scovtot);
/* Sphere-asperity interactions */
for (iasp = 0; iasp < nasptot; iasp++) {
cs_real_t distcc = pow(pow(distp + rpart- posasp3[iasp],2) + pow(posasp1[iasp],2) ,0.5);
var1 = cs_lagr_van_der_waals_sphere_sphere(distcc,
rpart,
posasp4[iasp],
cs_lagr_roughness_param->cstham,
cs_lagr_roughness_param->lambda_vdw);
var2 = cs_lagr_edl_sphere_sphere(distcc,
rpart,
posasp4[iasp],
cs_lagr_roughness_param->valen,
cs_lagr_roughness_param->phi_p,
cs_lagr_roughness_param->phi_s,
cs_lagr_roughness_param->temperature[iel],
cs_lagr_roughness_param->debye_length[iel],
cs_lagr_roughness_param->water_permit);
udlvor[np] = udlvor[np] + (var1 + var2) * (distp + rpart - posasp3[iasp]) / distcc;
}
/* End of the loop on the separation distance */
}
/* Tracking of the energy barrier */
cs_real_t barren = 0.;
for (np = 0; np < 500; np++) {
if (udlvor[np] > barren) {
barren = udlvor[np];
}
}
if (barren < 0.) barren = 0.;
*energy_barrier = barren / rpart;
}
/*----------------------------------------------------------------------------*/
END_C_DECLS
|