noparticles_chemistry

Module

Description

$Id: noparticles_chemistry.f90 19193 2012-06-30 12:55:46Z wdobler $

This module takes care of everything related to particle chemistry

** 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_chemistry=.false.

Quick access

Variables:: a_p, a_p_first, aac, ac, adsorbed_species_enthalpy, adsorbed_species_entropy, allocate_variable_pencils, b_k, calc_a_p, calc_cg, calc_conversion, calc_cs, calc_effectiveness_factor, calc_enthalpy_of_reaction, calc_entropy_of_reaction, calc_k_k, calc_mod_surf_area, calc_ndot_mdot_r_j_hat, calc_q_reac, calc_r_c_hat, calc_rho_p, calc_rr_hat, calc_st, cg, chemplaceholder, conversion, count_species, count_species_type, create_arh_param, cs, delta_rho_surface, dependent_reactant, diffusivity, dngas, effectiveness_factor, effectiveness_factor_old, effectiveness_factor_reaction, effectiveness_factor_species, effectiveness_factor_timeaver, element, entropy_k, er_k, eta_int, f_rpm, find_sh_counter, first_pchem, flags, flip_and_parse, gas_constant, get_conversion, get_mod_surf_area, get_nusselt, get_q_reac, get_r_c_hat, get_r_j_hat, get_reverse_k_k, get_rr_hat, get_st, heating_k, idiag_shchm, imuadsco, imuadsh, imuadso, imuadso2, imuadsoh, imufree, initial_density, inuch, inuch2, inuch3, inuch4, inuco, inuco2, inuh2, inuh2o, inuhco, inuo2, iter, jmap, k_k, lbaum_and_street, lheat_per_pencil, lpchem_debug, lpreactions, lreactive_heating, lsurface_nopores, lthiele, mass_loss, mdot_ck, mol_mass_carbon, molar_mass, mu_prime, n_adsorbed_species, n_max_elements, n_reactions, n_species, n_surface_reactants, n_surface_reactions, n_surface_species, ndot, ndot_total, np, nr, ns, nu_prime, omega_pg_dbl, parse, part, part_power, particle_temperature, placeholder, pre_energy, print_debug_info, products, q_reac, r_c_hat, r_j_hat, rck, rck_max, reactants, reaction_direction, reaction_enhancement, reaction_order, read_mechanics_file, register_dep_pchem, register_indep_pchem, register_unit_system, remove_save_powers, remove_save_t_k, reverse_reactions_present, rho_p, rho_p_first, rr_hat, rr_method, set_rr, sgc_init, sigma_k, species, species_name, st, startup_quench, startup_time, structural_parameter, surface_species_enthalpy, surface_species_entropy, t_k, thiele, tortuosity, total_carbon_sites, tp_pencil, writeformat, x_s_total
Routines:: calc_ads_enthalpy(), calc_ads_entropy(), calc_diagnostics_particles_chem(), calc_get_mod_surf_area(), calc_pchemistry_pencils(), calc_pencils_par_chem(), calc_surf_enthalpy(), calc_surf_entropy(), cleanup_chemistry_pencils(), count_max_elements(), count_reactions(), create_ad_sol_lists(), create_dependency(), create_dngas(), create_occupancy(), create_stoc(), find_species(), get_ac(), get_adsorbed_chemistry(), get_mass_chemistry(), get_part(), get_pchem_info(), get_radius_chemistry(), get_reactants(), get_surface_chemistry(), get_temperature_chemistry(), particles_chemistry_clean_up(), pencil_criteria_par_chem(), read_particles_chem_init_pars(), read_particles_chem_run_pars(), register_particles_chem(), rprint_particles_chem(), sort_compounds(), write_particles_chem_init_pars(), write_particles_chem_run_pars()

Needed modules

cdata: $Id$
general (keep_compiler_quiet()): $Id$
messages: $Id$
particles_cdata: $Id$
particles_sub: $Id$
particles_mpicomm: $Id$

Variables

particles_chemistry/aac [integer,public/optional/default=0]
particles_chemistry/ac [integer,public/optional/default=0]
particles_chemistry/calc_conversion [private]
particles_chemistry/calc_enthalpy_of_reaction [private]
particles_chemistry/calc_entropy_of_reaction [private]
particles_chemistry/calc_mod_surf_area [private]
particles_chemistry/calc_ndot_mdot_r_j_hat [private]
particles_chemistry/calc_r_c_hat [private]
particles_chemistry/calc_rho_p [private]
particles_chemistry/calc_rr_hat [private]
particles_chemistry/calc_st [private]
particles_chemistry/dependent_reactant [integer,public/optional/default=0]
particles_chemistry/get_conversion [private]
particles_chemistry/get_mod_surf_area [private]
particles_chemistry/get_nusselt [private]
particles_chemistry/get_q_reac [private]
particles_chemistry/get_r_c_hat [private]
particles_chemistry/get_r_j_hat [private]
particles_chemistry/get_rr_hat [private]
particles_chemistry/get_st [private]
particles_chemistry/imuadsco [integer,public/optional/default=0]
particles_chemistry/imuadsh [integer,public/optional/default=0]
particles_chemistry/imuadso [integer,public/optional/default=0]
particles_chemistry/imuadso2 [integer,public/optional/default=0]
particles_chemistry/imuadsoh [integer,public/optional/default=0]
particles_chemistry/imufree [integer,public/optional/default=0]
particles_chemistry/inuch [integer,public/optional/default=0]
particles_chemistry/inuch2 [integer,public/optional/default=0]
particles_chemistry/inuch3 [integer,public/optional/default=0]
particles_chemistry/inuch4 [integer,public/optional/default=0]
particles_chemistry/inuco [integer,public/optional/default=0]
particles_chemistry/inuco2 [integer,public/optional/default=0]
particles_chemistry/inuh2 [integer,public/optional/default=0]
particles_chemistry/inuh2o [integer,public/optional/default=0]
particles_chemistry/inuhco [integer,public/optional/default=0]
particles_chemistry/inuo2 [integer,public/optional/default=0]
particles_chemistry/jmap [integer,public/optional/default=0]
particles_chemistry/lbaum_and_street [logical,public/optional/default=.false.]
particles_chemistry/lpreactions [logical,public/optional/default=.false.]
particles_chemistry/lsurface_nopores [logical,public]
particles_chemistry/mol_mass_carbon [real,public/optional/default=12.0]
particles_chemistry/mu [integer,public/optional/default=0]
particles_chemistry/mu_prime [integer,public/optional/default=0]
particles_chemistry/n_adsorbed_species [integer,public/optional/default=0]
particles_chemistry/n_species [integer,public/optional/default=0]
particles_chemistry/n_surface_reactants [integer,public/optional/default=0]
particles_chemistry/n_surface_reactions [integer,public/optional/default=0]
particles_chemistry/n_surface_species [integer,public/optional/default=0]
particles_chemistry/nu [integer,public/optional/default=0]
particles_chemistry/nu_prime [integer,public/optional/default=0]

Subroutines and functions

subroutine particles_chemistry/get_pchem_info()

Call to:: count_reactions(), find_species(), count_max_elements()

subroutine particles_chemistry/pencil_criteria_par_chem()

16.09.2015/jonas + nils: coded

Call to:: count_reactions(), find_species(), count_max_elements()

subroutine particles_chemistry/calc_pencils_par_chem(f, p)

16.09.2015/jonas + nils: coded

Parameters:

f (mx,my,mz,mfarray) [real]
p [pencil_case]

Call to:

count_reactions(), find_species(), count_max_elements()

function particles_chemistry/count_reactions()

Return:: count_reactions [integer]
Call to:: find_species(), count_max_elements()

function particles_chemistry/find_species()

Return:: find_species [integer]
Call to:: count_max_elements()

function particles_chemistry/count_max_elements()

Return:: count_max_elements [integer]

subroutine particles_chemistry/calc_pchemistry_pencils(f, fp, p, ineargrid)

Parameters:

f (mx,my,mz,mfarray) [real]
fp (mpar_loc,mparray) [real]
p [pencil_case]
ineargrid (,) [integer]

subroutine particles_chemistry/calc_diagnostics_particles_chem(p)

Parameters:: p [pencil_case]

subroutine particles_chemistry/calc_get_mod_surf_area()

subroutine particles_chemistry/create_dependency()

subroutine particles_chemistry/create_ad_sol_lists()

subroutine particles_chemistry/create_occupancy()

subroutine particles_chemistry/create_dngas()

subroutine particles_chemistry/create_stoc()

subroutine particles_chemistry/get_ac()

subroutine particles_chemistry/get_part()

subroutine particles_chemistry/get_reactants()

subroutine particles_chemistry/sort_compounds()

subroutine particles_chemistry/register_particles_chem()

subroutine particles_chemistry/calc_surf_enthalpy()

subroutine particles_chemistry/calc_surf_entropy()

subroutine particles_chemistry/calc_ads_enthalpy(fp)

Parameters:: fp (,) [real]

subroutine particles_chemistry/calc_ads_entropy(fp)

Parameters:: fp (,) [real]

subroutine particles_chemistry/cleanup_chemistry_pencils()

subroutine particles_chemistry/read_particles_chem_init_pars(iomsg)

Parameters:: iomsg [character,out]

subroutine particles_chemistry/write_particles_chem_init_pars(unit)

Parameters:: unit [integer,in]

subroutine particles_chemistry/read_particles_chem_run_pars(iomsg)

Parameters:: iomsg [character,out]

subroutine particles_chemistry/write_particles_chem_run_pars(unit)

Parameters:: unit [integer,in]

subroutine particles_chemistry/get_mass_chemistry(var1, var2, var3)

Parameters:

var1 (*) [real]
var2 (*) [real]
var3 (,) [real]

subroutine particles_chemistry/get_surface_chemistry()

subroutine particles_chemistry/get_adsorbed_chemistry()

subroutine particles_chemistry/get_radius_chemistry(var1, var2)

Parameters:

var1 (*) [real]
var2 (*) [real]

subroutine particles_chemistry/get_temperature_chemistry(var1, var2, k1, k2)

Parameters:

var1 (*) [real]
var2 (*) [real]
k1 [integer]
k2 [integer]

subroutine particles_chemistry/particles_chemistry_clean_up()

subroutine particles_chemistry/rprint_particles_chem(lreset[, lwrite])

Parameters:

lreset [logical]
lwrite [logical]