7.3. multispec

Declared in src_multispec/multispec_namespace.H; defaults set in InitializeMultispecNamespace() (src_multispec/multispec_functions.cpp).

Parameter	Type	Default	Description
fraction_tolerance	Real	1.e-14	For roundoff errors in mass and mole fractions
start_time	Real	0.
inverse_type	int	1	Only for LAPACK: 1=inverse, 2=pseudo inverse
correct_flux	int	1	Manually ensure mass is conserved to roundoff
print_error_norms	int	1
is_ideal_mixture	int	1	If T assume Gamma=I (H=0) and simplify
is_nonisothermal	int	0	If T Soret effect will be included
use_lapack	int	0	Use LAPACK or iterative method for diffusion matrix (recommend False)
use_multiphase	int	0	for RTIL
use_flory_huggins	int	0	for flory huggins
use_disjoin_pres	int	0	for flory huggins
monomer_mass	Real	1.	divisor in the Flory-Huggins scale factor; must be > 0
kc_tension	Real	0	for RTIL
fh_tension	Real	0.
fh_ce	Real	0.
hamaker_A	Real	0.
disjoin_force	Real	4.e12	experimental constant x body force used when use_disjoin_pres = 1
alpha_gex	Real	0	for RTIL
n_gex	int	1	for RTIL
chi_iterations	int	10	number of iterations used in Dbar2chi_iterative
temp_type	int	0	for initializing temperature
fh_kappa	Real × species²	–
fh_chi	Real × species²	–
contact_angle_lo	Real × dim	90. (all)	spacedim-vector specifying external E field
contact_angle_hi	Real × dim	90. (all)	spacedim-vector specifying external E field
fh_monomers	Real × species	1. (all)
c_init_1	Real × species	1. (all)	initial values for c
c_init_2	Real × species	1. (all)
c_init_3	Real × species	1. (all)
Dtherm	Real × species	0. (all)	thermo-diffusion coefficients, only differences among elements matter
H_diag	Real × species	0. (all)	Diagonal of H=d^2F/dx^2, these are vectors of length nspecies
Dbar	Real × species pairs	1. (all)	Maxwell-Stefan diffusion constant
H_offdiag	Real × species pairs	0. (all)
midpoint_stoch_mass_flux_type	int	1	1 = Strato
avg_type	int	1	how to compute stochastc_mass_fluxdiv
mixture_type	int	0	Model for how transport and thermodynamic coefficients depend on composition
use_charged_fluid	int	0
print_debye_len	int	0
dielectric_const	Real	1.
dielectric_type	int	0	0 = assumes constant epsilon
charge_per_mass	Real × species	0. (all)
bc_function_type	int	0	0 = constant
L_pos	Real	0.	length of part of boundary where there is positive charge flux, if cubic function is imposed
L_trans	Real	0.	length of transition part of boundary, where the value varies like a cubic
L_zero	Real	0.	length of part of boundary where there is zero charge flux, if cubic function is imposed
theta_pot	Real	0.5	for implicit algorithm_type=3, controls
num_pot_iters	int	2
dpdt_factor	Real	0.
E_ext_type	int	0	if 1, sets an external E field to E_ext_value
E_ext_value	Real list	0. (all)	spacedim-vector specifying external E field
electroneutral	int	0	use electroneutral diffusion fluxes
induced_charge_eo	int	0	are we simulating ICEO?
relxn_param_charge	Real	1.	Used to prevent slow buildup of charge for electroneutral, keep at 1.0
zero_eps_on_wall_type	int	0	set eps=0 on certain Dirichlet walls
zero_charge_on_wall_type	int	0	set sigma=0 on certain Neumann walls
zero_eps_on_wall_left_end	Real	0.25	eg if set to 0.25, then eps will be set to 0 on the wall from 0*Lx –> 0.25*Lx
zero_eps_on_wall_right_start	Real	0.75	eg if set to 0.75, then eps will be set to 0 on the wall from 0.75*Lx –> 1.*Lx