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params_dualfoil_Saehong.m
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params_dualfoil_Saehong.m
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%% Params for Electrochemical Model
% Created May 24, 2012 by Scott Moura
%
% Most parameters are from DUALFOIL model
% D_e is from Capiglia et al, for c_e = 1000 mol/m^3
% Equilibrium potentials are from Bosch Klein TCST 2011
% Electrode area chosen to correspond to 2.3 Ah cell
% Modified Apr 26, 2016 by Saehong Park
% Added p.epsilon_f_n, p.epsilon_f_p to calculate Bruggeman relationship.
%% Geometric Params
% Thickness of each layer
p.L_n = 100e-6; % Thickness of negative electrode [m]
p.L_s = 25e-6; % Thickness of separator [m]
p.L_p = 100e-6; % Thickness of positive electrode [m]
L_ccn = 25e-6; % Thickness of negative current collector [m]
L_ccp = 25e-6; % Thickness of negative current collector [m]
% Particle Radii
p.R_s_n = 10e-6; % Radius of solid particles in negative electrode [m]
p.R_s_p = 10e-6; % Radius of solid particles in positive electrode [m]
% Volume fractions
p.epsilon_s_n = 0.6; % Volume fraction in solid for neg. electrode
p.epsilon_s_p = 0.5; % Volume fraction in solid for pos. electrode
p.epsilon_e_n = 0.3; % Volume fraction in electrolyte for neg. electrode
p.epsilon_e_s = 1.0; % Volume fraction in electrolyte for separator
p.epsilon_e_p = 0.3; % Volume fraction in electrolyte for pos. electrode
% make element to caclulate phi_{s} by Saehong Park
p.epsilon_f_n = 0.1; % Volume fraction of filler in neg. electrode
p.epsilon_f_p = 0.2; % Volume fraction of filler in pos. electrode
epsilon_f_n = p.epsilon_f_n; % Volume fraction of filler in neg. electrode
epsilon_f_p = p.epsilon_f_p; % Volume fraction of filler in pos. electrode
% Specific interfacial surface area
p.a_s_n = 3*p.epsilon_s_n / p.R_s_n; % Negative electrode [m^2/m^3]
p.a_s_p = 3*p.epsilon_s_p / p.R_s_p; % Positive electrode [m^2/m^3]
% Mass densities
rho_sn = 1800; % Solid phase in negative electrode [kg/m^3]
rho_sp = 5010; % Solid phase in positive electrode [kg/m^3]
rho_e = 1324; % Electrolyte [kg/m^3]
rho_f = 1800; % Filler [kg/m^3]
rho_ccn = 8954; % Current collector in negative electrode
rho_ccp = 2707; % Current collector in positive electrode
% Compute cell mass [kg/m^2]
m_n = p.L_n * (rho_e*p.epsilon_e_n + rho_sn*p.epsilon_s_n + rho_f*epsilon_f_n);
m_s = p.L_s * (rho_e*p.epsilon_e_n);
m_p = p.L_p * (rho_e*p.epsilon_e_p + rho_sp*p.epsilon_s_p + rho_f*epsilon_f_p);
m_cc = rho_ccn*L_ccn + rho_ccp*L_ccp;
% Lumped density [kg/m^2]
p.rho_avg = m_n + m_s + m_p + m_cc;
%% Transport Params
% Diffusion coefficient in solid
p.D_s_n = 3.9e-14; % Diffusion coeff for solid in neg. electrode, [m^2/s]
p.D_s_p = 1e-13; % Diffusion coeff for solid in pos. electrode, [m^2/s]
% Diffusion coefficient in electrolyte
% p.D_e = 2.7877e-10; % Diffusion coeff for electrolyte, [m^2/s]
% Diffusional conductivity in electrolyte
p.dactivity = 0;
p.brug = 1.5; % Bruggeman porosity
% Conductivity of solid
p.sig_n = 100; % Conductivity of solid in neg. electrode, [1/Ohms*m]
p.sig_p = 10; % Conductivity of solid in pos. electrode, [1/Ohms*m]
% p.sig_eff_n = p.sig_n * p.epsilon_s_n^p.brug; % Eff. conductivity in neg. electrode, [1/Ohms*m]
% p.sig_eff_p = p.sig_p * p.epsilon_s_p^p.brug; % Eff. conductivity in pos. electrode, [1/Ohms*m]
% Conductivity of electrolyte
% Miscellaneous
p.t_plus = 0.4; % Transference number
p.Faraday = 96487; % Faraday's constant, [Coulumbs/mol]
p.Area = 1; % Electrode current collector area [m^2]
%% Kinetic Params
p.R = 8.314472; % Gas constant, [J/mol-K]
p.alph = 0.5; % Charge transfer coefficients
% p.R_SEI = 1e-3; % Resistivity of SEI layer, [Ohms*m^2]
%p.R_f_n = 1e-6; % Resistivity of SEI layer, [Ohms*m^2]
p.R_f_n = 1e-3; % Resistivity of SEI layer, [Ohms*m^2]
p.R_f_p = 0; % Resistivity of SEI layer, [Ohms*m^2]
p.R_c = 0; % Contact Resistance/Current Collector Resistance, [Ohms-m^2]
% Nominal Reaction rates
p.k_n0 = 1e-5; % Reaction rate in neg. electrode, [(A/m^2)*(mol^3/mol)^(1+alpha)]
p.k_p0 = 3e-7; % Reaction rate in pos. electrode, [(A/m^2)*(mol^3/mol)^(1+alpha)]
%% Thermodynamic Params
% Thermal dynamics
p.C_p = 2000; % Heat capacity, [J/kg-K]
p.h = 0.36; % Heat transfer coefficient, [W/K-m^2] 0
% Ambient Temperature
p.T_amb = 298.15; % [K]
% Activation Energies
% Taken from Zhang et al (2014) [Harbin]
% http://dx.doi.org/10.1016/j.jpowsour.2014.07.110
% All units are [J/mol]
p.E.kn = 37.48e3;
p.E.kp = 39.57e3;
p.E.Dsn = 42.77e3;
p.E.Dsp = 18.55e3;
p.E.De = 37.04e3;
p.E.kappa_e = 34.70e3;
% Reference temperature
p.T_ref = 298.15; %[K]
% Entropy coefficients
p.dUref_dT = -0.4e-3; % [V/K] approx. from Al Hallaj et al 2000, JPS
%% Concentrations
% % Maxima based on 2.3Ah cell
% p.c_s_n_max = 1.4990e4; % Max concentration in anode, [mol/m^3]
% p.c_s_p_max = 2.5609e4; % Max concentration in cathode, [mol/m^3]
% Maxima based on DUALFOIL
% line 588 in DUALFOIL Fortran code
p.c_s_n_max = 3.6e3 * 372 * 1800 / p.Faraday; % Max concentration in anode, [mol/m^3]
%p.c_s_n_max = 3.6e3 * 372 * 2260 / p.Faraday; % Max concentration in anode, [mol/m^3]
%p.c_s_p_max = 3.6e3 * 247 * 5010 / p.Faraday; % Max concentration in cathode, [mol/m^3]
p.c_s_p_max = 3.6e3 * 274 * 5010 / p.Faraday; % Max concentration in cathode, [mol/m^3]
p.n_Li_s = 2.5; %2.781; % Total moles of lithium in solid phase [mol]
p.c_e = 1e3; % Fixed electrolyte concentration for SPM, [mol/m^3]
%% Cutoff voltages
p.volt_max = 4.7;
p.volt_min = 2.6;
%% Discretization parameters
% Discrete time step
p.delta_t = 1;
% Pade Order
p.PadeOrder = 3;
% Finite difference points along r-coordinate
% p.Nr = 10;
% p.delta_r_n = p.R_s_n / p.Nr;
% p.delta_r_p = p.R_s_p / p.Nr;
% Finite difference points along x-coordinate
p.Nxn = 70;
p.Nxs = 35;
p.Nxp = 70;
p.Nx = p.Nxn+p.Nxs+p.Nxp;
p.delta_x_n = 1 / p.Nxn;
p.delta_x_s = 1 / p.Nxs;
p.delta_x_p = 1 / p.Nxp;
%% Constrains Parameters (Niloofar added)
theta_min_p = 0.5;
theta_max_p = 0.99;
theta_min_n = 0.01;
theta_max_n = 0.9;
T_min = 200; % I just picked a random big number.
T_max = 400; % I just picked a random big number.
c_e_min = 0.15;
c_e_max = 2; % I just picked a random big number.