cs_lagr_dlvo.h

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#ifndef CS_LAGR_DLVO_H
#define CS_LAGR_DLVO_H
 
/*============================================================================
 * Functions and types for the clogging modeling
 *============================================================================*/
 
/*
  This file is part of code_saturne, a general-purpose CFD tool.
 
  Copyright (C) 1998-2026 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.
*/
 
/*----------------------------------------------------------------------------*/
 
/*----------------------------------------------------------------------------
 *  Local headers
 *----------------------------------------------------------------------------*/
 
#include "base/cs_defs.h"
 
#include "lagr/cs_lagr_particle.h"
 
/*============================================================================
 * Type definitions
 *============================================================================*/
 
typedef struct {
 
  cs_real_t   water_permit;
  cs_real_t   ionic_strength;
  cs_real_t   phi_p;
  cs_real_t   phi_s;
  cs_real_t  *temperature;
  cs_real_t   valen;
  cs_real_t  *debye_length;
  cs_real_t   cstham;
  cs_real_t   csthpp;
  cs_real_t   lambda_vdw;
 
} cs_lagr_dlvo_param_t;
 
/*=============================================================================
 * Function definitions
 *============================================================================*/
 
/*----------------------------------------------------------------------------
 * DLVO initialization
 *----------------------------------------------------------------------------*/
 
void
cs_lagr_dlvo_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   csthpp,
                  const cs_real_t   lambda_vdw);
 
/*----------------------------------------------------------------------------
 * Deallocate the arrays storing temperature and Debye length.
 *----------------------------------------------------------------------------*/
 
void
cs_lagr_dlvo_finalize(void);
 
/*----------------------------------------------------------------------------
 * Compute the energy barrier for two spheres.
 *----------------------------------------------------------------------------*/
 
void
cs_lagr_barrier_pp(cs_real_t                       dpart,
                   cs_lnum_t                       iel,
                   cs_real_t                      *energy_barrier);
 
/*----------------------------------------------------------------------------
 * Van der Waals interaction between a sphere and a plane
 * using formulas from Czarnecki (large distances)
 *                 and Gregory (small distances)
 *----------------------------------------------------------------------------*/
 
cs_real_t
cs_lagr_van_der_waals_sphere_plane(cs_real_t  distp,
                                   cs_real_t  rpart,
                                   cs_real_t  lambda_vdw,
                                   cs_real_t  cstham);
 
/*----------------------------------------------------------------------------
 * Calculation of the Van der Waals interaction between two spheres
 * following the formula from Gregory (1981a)
 *----------------------------------------------------------------------------*/
 
cs_real_t
cs_lagr_van_der_waals_sphere_sphere(cs_real_t    distcc,
                                    cs_real_t    rpart1,
                                    cs_real_t    rpart2,
                                    cs_real_t    lambda_vdw,
                                    cs_real_t    cstham);
 
/*----------------------------------------------------------------------------
 * Electric Double Layer (EDL) interaction between a sphere and a plane
 * using the formula from Bell & al (1970)
 * based on the McCartney & Levine method
 *----------------------------------------------------------------------------*/
 
cs_real_t
cs_lagr_edl_sphere_plane (cs_real_t  distp,
                          cs_real_t  rpart,
                          cs_real_t  valen,
                          cs_real_t  phi1,
                          cs_real_t  phi2,
                          cs_real_t  temp,
                          cs_real_t  debye_length,
                          cs_real_t  water_permit);
 
/*----------------------------------------------------------------------------
 * Calculation of the EDL interaction between two spheres
 * using the formula from Bell & al (1970)
 * based on the McCartney & Levine method
 *----------------------------------------------------------------------------*/
 
cs_real_t
cs_lagr_edl_sphere_sphere(cs_real_t  distcc,
                          cs_real_t  rpart1,
                          cs_real_t  rpart2,
                          cs_real_t  valen,
                          cs_real_t  phi1,
                          cs_real_t  phi2,
                          cs_real_t  temp,
                          cs_real_t  debye_length,
                          cs_real_t  water_permit);
 
/*=============================================================================
 * C++ Function definitions
 *============================================================================*/
 
#if defined(__cplusplus)
 
/*----------------------------------------------------------------------------
 * Compute the energy barrier for a smooth wall.
 *----------------------------------------------------------------------------*/
 
void
cs_lagr_barrier(cs_lagr_particle_set_t   &p_set,
                cs_lnum_t                 p_id,
                cs_lnum_t                 iel,
                cs_real_t                 *energy_barrier);
 
#endif /* __cplusplus */
 
/*----------------------------------------------------------------------------*/
 
#endif /* CS_LAGR_DLVO_H */