particles_surfspec
Module
Description
$Id: particles_surfspec.f90 21950 2014-07-08 08:53:00Z jonas.kruger $
MOUDLE_DOC: This module takes care the gas phase species in the MODULE_DOC: immediate vicinity of reactive particles.
** AUTOMATIC CPARAM.INC GENERATION ************************
Declare (for generation of cparam.inc) the number of f array variables and auxiliary variables added by this module
CPARAM logical, parameter :: lparticles_surfspec=.true.
Quick access
- Variables:
allocate_surface_pencils,calc_mass_trans_coeff,calc_mass_trans_reactants,create_jmap,dmass_frac_dt,find_index,idiag_dtpchem,idiag_surf,init_surf,init_surf_mol_frac,ispecenth,jar,jch,jch2,jch3,jch4,jco,jco2,jh,jh2,jh2o,jhco,jn2,jo,jo2,joh,lboundary_explicit,ldiffenth,ldiffs,ldiffuse_backenth,ldiffuse_backspec,linfinite_diffusion,lpchem_cdtc,lpchem_mass_enth,lpfilter,lspecies_transfer,lwrite,mass_trans_coeff_reactants,mass_trans_coeff_species,ndiffsteps,nu_power,rdiffconsts,register_dep_psurfchem,register_dep_psurfspec,register_indep_psurfchem,register_indep_psurfspec,solid_species,true_density_carbon,write_outputfile,x_infty_reactants,ysurf- Routines:
calc_diagnostics_particles_surf(),calc_psurf_pencils(),cleanup_surf_pencils(),dpsurf_dt(),dpsurf_dt_pencil(),init_particles_surf(),initialize_particles_surf(),particles_surfspec_clean_up(),read_particles_surf_init_pars(),read_particles_surf_run_pars(),register_particles_surfspec(),rprint_particles_surf(),write_particles_surf_init_pars(),write_particles_surf_run_pars()
Needed modules
cdata: $Id$general(keep_compiler_quiet()): $Id$messages: $Id$particles_cdata: $Id$particles_mpicomm: $Id$particles_sub: $Id$particles_chemistry: $Id: Particles_chemistry.f90 21950 2014-07-08 08:53:00Z jonas.kruger $chemistry: $Id$equationofstate: $Id$
Variables
- particles_surfspec/allocate_surface_pencils [private]
- particles_surfspec/calc_mass_trans_coeff [private]
- particles_surfspec/calc_mass_trans_reactants [private]
- particles_surfspec/create_jmap [private]
- particles_surfspec/dmass_frac_dt (*,*,*) [real,private/allocatable]
- particles_surfspec/find_index [private]
- particles_surfspec/idiag_dtpchem [integer,private/optional/default=0]
DIAG_DOC: $dt_{particle,chemistry}$
- particles_surfspec/idiag_surf (*) [integer,private/allocatable]
- particles_surfspec/init_surf_mol_frac (10) [real,private]
INIT_DOC: Initial surface fraction
- particles_surfspec/ispecaux (nchemspec) [integer,private/optional/default=0]
- particles_surfspec/ispecenth [integer,private]
- particles_surfspec/jar [integer,private]
- particles_surfspec/jch [integer,private]
- particles_surfspec/jch2 [integer,private]
- particles_surfspec/jch3 [integer,private]
- particles_surfspec/jch4 [integer,private]
- particles_surfspec/jco [integer,private]
- particles_surfspec/jco2 [integer,private]
- particles_surfspec/jh [integer,private]
- particles_surfspec/jh2 [integer,private]
- particles_surfspec/jh2o [integer,private]
- particles_surfspec/jhco [integer,private]
- particles_surfspec/jn2 [integer,private]
- particles_surfspec/jo [integer,private]
- particles_surfspec/jo2 [integer,private]
- particles_surfspec/joh [integer,private]
- particles_surfspec/lboundary_explicit [logical,private/optional/default=.true.]
RUN_DOC: explicit evolution of particle surface species
- particles_surfspec/ldiffenth [logical,private/optional/default=.false.]
- particles_surfspec/ldiffs [logical,private/optional/default=.false.]
- particles_surfspec/ldiffuse_backenth [logical,private/optional/default=.false.]
- particles_surfspec/ldiffuse_backspec [logical,private/optional/default=.false.]
- particles_surfspec/linfinite_diffusion [logical,private/optional/default=.true.]
RUN_DOC: infinitely fast diffusion between particle and gas
- particles_surfspec/lpchem_cdtc [logical,private/optional/default=.false.]
- particles_surfspec/lpchem_mass_enth [logical,private/optional/default=.true.]
- particles_surfspec/lpfilter [logical,private/optional/default=.true.]
- particles_surfspec/lspecies_transfer [logical,private/optional/default=.true.]
RUN_DOC: species transfer between particle and gas
- particles_surfspec/lwrite [logical,private/optional/default=.true.]
- particles_surfspec/mass_trans_coeff_reactants (*,*) [real,private/allocatable]
- particles_surfspec/mass_trans_coeff_species (*,*) [real,private/allocatable]
- particles_surfspec/ndiffsteps [integer,private/optional/default=3]
RUN_DOC: Number of mass transfer diffusion steps
- particles_surfspec/nu_power (*,*) [real,private/allocatable]
- particles_surfspec/rdiffconsts [real,private/optional/default=0.1178]
- particles_surfspec/register_dep_psurfspec [private]
- particles_surfspec/register_indep_psurfspec [private]
- particles_surfspec/solid_species (*) [character,private/allocatable]
- particles_surfspec/true_density_carbon [real,private/pointer]
- particles_surfspec/weight_array (*,*,*) [real,private/allocatable]
- particles_surfspec/write_outputfile [private]
- particles_surfspec/x_infty_reactants (*,*) [real,private/allocatable]
- particles_surfspec/ysurf [integer,private]
Subroutines and functions
- subroutine particles_surfspec/register_particles_surfspec()
This is a wrapper routine for particle dependent and particle independent variables JONAS: Back to standalone via mpar_loc=1?
- Use :
- Called from:
- Call to:
fatal_error(),create_ad_sol_lists(),get_reactants(),sort_compounds(),append_npvar(),get_ac(),create_stoc(),create_dependency(),create_dngas(),precalc_weights(),not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/initialize_particles_surf(f)
Perform any post-parameter-read initialization i.e. calculate derived parameters.
29-sep-14/jonas coded
- Parameters:
- Use :
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules()- Call to:
precalc_weights(),fatal_error(),not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/read_particles_surf_init_pars(iomsg)
- Parameters:
iomsg [character,out]
- Use :
- Call to:
fatal_error(),not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/write_particles_surf_init_pars(unit)
- Parameters:
unit [integer,in]
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),particles_pde_pencil(),particles_calc_pencil_diags(),particles_pde_blocks(),read_all_particles_init_pars(),write_all_particles_init_pars(),read_all_particles_run_pars(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles()- Call to:
fatal_error(),not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/read_particles_surf_run_pars(iomsg)
- Parameters:
iomsg [character,out]
- Use :
- Call to:
fatal_error(),not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/write_particles_surf_run_pars(unit)
- Parameters:
unit [integer,in]
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),particles_pde_pencil(),particles_calc_pencil_diags(),particles_pde_blocks(),read_all_particles_init_pars(),write_all_particles_init_pars(),read_all_particles_run_pars(),write_all_particles_run_pars(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles()- Call to:
fatal_error(),not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/init_particles_surf(f, fp, ineargrid)
- Parameters:
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init()- Call to:
fatal_error(),not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/dpsurf_dt(f, df, fp, dfp, ineargrid)
evolution of particle surface fractions (all particles on one node)
1-oct-14/Jonas: coded
- Parameters:
- Use :
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),read_all_particles_init_pars(),read_all_particles_run_pars(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles()- Call to:
not_implemented(),boundconds_x(),initiate_isendrcv_bdry(),finalize_isendrcv_bdry(),boundconds_y(),boundconds_z(),diffuse_interaction(),sum_par_name(),get_surface_chemistry(),find_interpolation_indeces(),fatal_error(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/dpsurf_dt_pencil(f, df, fp, dfp, p, ineargrid)
Evolution of particle surface fraction. (all particles on one pencil)
23-sep-14/Nils: coded
- Parameters:
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),particles_pde_pencil(),read_all_particles_init_pars(),read_all_particles_run_pars(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles()- Call to:
get_surface_chemistry(),not_implemented(),find_interpolation_indeces(),fatal_error(),calc_diagnostics_particles_surf(),find_species(),find_species_index()
- subroutine particles_surfspec/calc_diagnostics_particles_surf(p)
- Parameters:
p [pencil_case]
- Use :
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),particles_pde_pencil(),particles_calc_pencil_diags(),read_all_particles_init_pars(),read_all_particles_run_pars(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles(),register_particles_surfspec(),init_particles_surf(),read_particles_surf_init_pars(),write_particles_surf_init_pars(),read_particles_surf_run_pars(),write_particles_surf_run_pars(),initialize_particles_surf(),dpsurf_dt(),dpsurf_dt_pencil()- Call to:
find_species(),find_species_index(),fatal_error(),get_surface_chemistry()
- subroutine particles_surfspec/rprint_particles_surf(lreset[, lwrite])
Read and register print parameters relevant for particles near field gas composition
06-oct-14/jonas: adapted
- Parameters:
lreset [logical]
lwrite [logical]
- Use :
- Called from:
- Call to:
find_species(),find_species_index(),fatal_error(),get_surface_chemistry()
- subroutine particles_surfspec/cleanup_surf_pencils()
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),particles_pde_pencil(),read_all_particles_init_pars(),read_all_particles_run_pars(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles()- Call to:
- subroutine particles_surfspec/calc_psurf_pencils(f, fp, p, ineargrid)
- Parameters:
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),particles_pde_pencil(),read_all_particles_init_pars(),read_all_particles_run_pars(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles()- Call to:
- subroutine particles_surfspec/particles_surfspec_clean_up()
- Called from:
particles_register_modules(),particles_rprint_list(),particles_initialize_modules(),particles_init(),particles_finalize(),particles_read_snapshot(),particles_write_snapshot(),particles_write_dsnapshot(),particles_write_pdim(),particles_write_block(),particles_write_rmv(),particles_timestep_first(),particles_timestep_second(),split_update_particles(),particles_load_balance(),particles_boundconds(),particles_pencil_criteria(),particles_pencil_interdep(),particles_calc_pencils(),particles_calc_selfpotential(),particles_before_boundary(),particles_special_bfre_bdary(),particles_special_after_dtsub(),particles_pde(),particles_pde_pencil(),particles_calc_pencil_diags(),particles_pde_blocks(),read_all_particles_init_pars(),write_all_particles_init_pars(),read_all_particles_run_pars(),write_all_particles_run_pars(),particles_powersnap(),get_slices_particles(),write_dim_particles(),write_snapshot_particles(),read_snapshot_particles(),particles_stochastic()