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params.yml
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#
# Mole fraction of A
A_RAW: 0.5
# Thermo model
# Options for GIBBS are: "FH", "UNIFAC", "PCSAFT", "TaylorApproxFullFH", "TaylorApproxLogOnlyFH"
GIBBS: PCSAFT_CR
# Options for SIZE_DISPARITY are: "SMALL", "LARGE"
SIZE_DISPARITY: SMALL
# Mobility model. Options are: "Variable" or "Constant"
MOBILITY_MODEL: Variable
# Conditions
TEMPERATURE: 473
#Numerics
NOISE_MAGNITUDE: 0.1
TIME_MAX: 10000
DT: 0.5
N_CELLS: 1000
DOMAIN_LENGTH: 4
theta_ch: 1
TIME_STRIDE: 500
MESH_TYPE: structured
FINITE_ELEMENT: CG
FINITE_ELEMENT_ORDER: 1
# Options are: "LU" or "KRYLOV"
SOLVER_CONFIG: KRYLOV
# Options are: "Vashistha94", "He97", "PS_PMMA", "PS_PB"
MATERIAL_CHOICE: PS_PMMA
# Materials
# PS_PMMA
N_A_PS_PMMA: 200
N_B_PS_PMMA: 100
# PS_PB
N_A_PS_PB: 50
N_B_PS_PB: 50
# Sweeping Residual
DESIRED_RESIDUAL: 0.1
# Vashistha94
chi_AB_Vashistha: 0.01
N_A_Vashistha: 1000
N_B_Vashistha: 1000
## Sym Quartic Polynomial
A_SYM_Vashistha: 0.0013750000000922432
# He97
chi_AB_He: 0.004
N_A_He: 800
N_B_He: 1400
## Sym Quartic Polynomial
A_SYM_He: 0.00528125000004125