Corrosion Engineering MCP Server

%% Constants and Conversion Factors % Steven A. Policastro, Ph.D. % Center for Corrosion Science and Engineering, % U.S. Naval Research Laboratory % 4555 Overlook Avenue SW % Washington, DC 20375 % % % This class contains variables storing physical constant values for use in % electrochemical calculations. % % _Record of Revisions_: % % * Created - October 2022 % * Last revision: 12-Oct-2022 classdef Constants % Defines physical constants and conversion factors for use in % electrochemical simulations. properties (Constant = true) R = 8.314; %Ideal gas constant, J/(mol K) F = 96485.3; %Faraday constant, coul/mol kb = 1.38e-23;%Boltzmann's constant, m2 kg/(s2 K) planck_h = 6.626e-34; %Planck's constant, m2 kg / s eps0 = 8.85418782e-12; %Permittivity of free space m-3 kg-1 s4 A2 e = 1.6e-19; % Charge on electron, C E_SHE_to_SCE = 0.244; %Convert standard hydrogen eelctrode potential to saturated calomel potential convertCtoK = 273.15; %Convert celsius to Kelvin convertGtoKg = 1.0 / 1000.0; %Convert grams to kilograms convertKgtoMg = 1000.0 * 1000.0; %Convert kilograms to milligrams convertLtoCm3 = 1000; %Convert liters to cm3 (or mL) convertMtoCm = 100; %Convert meters to cm convertCm2toM2 = 1.0e-4; %Convert cm2 to m2 cH2O = 55.55; %Concentration of water, mol/L cO2 = 0.209476; %Concentration of oxygen in air, % M_H2 = 2.016; %Molar mass of H2, g/mol M_OH = 17.008; %Molar mass of OH-, g/mol M_O2 = 32.0; %Molar mass of O2, g/mol M_H2O = 18.01528; %Molar mass of H2O, g/mol M_Cl = 35.5; %Molar mass of Cl-, g/mol M_NaCl = 58.4; %Molar mass of NaCl, g/mol M_Cr = 51.9961; %Molar mass of Cr, g/mol MCr2O3 = 151.99; %g/mol densityCr2O3 = 5.22; %g/cm3 rhoCr2O3_0 = 5000.0e9; %Ohm/cm iPassCr2O3 = 1.0e-6; %A/cm2 tCr2O3film = 2.5e-7; %cm M_Fe = 55.845; %Molar mass of Fe, g/mol M_Ni = 58.6934; %Molar mass of Ni, g/mol M_Cu = 63.546;%Molar mass of Cu, g/mol D_H = 9.311e-5; %Diffusivity of H3O-, cm2/sec D_H2O = 2.299e-5; %Diffusivity of H2O, cm2/sec D_Fe = 2.5e-12; %Diffusivity of Fe in oxide, cm2/sec epsH2O = 80.1; %Dielectric constant of water epsPolyurethane = 6.19; %Dielectric constant of polyurethane epsEpoxy = 3.6; %Dielectric constant of epoxy e0_orr_acid = 1.223; %Thermodynamic electrode potential of ORR in acidic solution, V_SHE e0_orr_2e_alk = -0.065; %Thermodynamic electrode potential of ORR in acidic solution, V_SHE e0_orr_alk = 0.401; %Thermodynamic electrode potential of ORR in neutral and alkaline solutions, V_SHE e0_her_alk = -0.83; %Thermodynamic electrode potential of HER in neutral and alkaline solutions, V_SHE e0_her_acid = 0.0; %Thermodynamic electrode potential of HER in acidic solution , V_SHE e0_me_ox = 0.0; %Thermodynamic electrode potential of generic metal, V_SHE e0_Cr_ox = -0.74; %Thermodynamic electrode potential of Cr oxidation, V_SHE e0_Fe_ox = -0.501; %-0.41; %Thermodynamic electrode potential of Fe oxidation, V_SHE e0_Ni_ox = -0.23; %Thermodynamic electrode potential of Ni oxidation, V_SHE e0_Cu_ox = 0.52; %Thermodynamic electrode potential of Ni oxidation, V_SHE z_orr = 4; %Number of electrons exchanged in the ORR reaction z_her = 2; %Number of electrons exchanged in the HER reaction z_Cr_ox = 3; %Number of electrons exchanged in the Cr oxidation reaction z_Fe_ox = 2; %Number of electrons exchanged in the Fe oxidation reaction z_Cu_ox = 1; %Number of electrons exchanged in the Fe oxidation reaction z_Fe_red = 1; %Number of electrons exchanged in an Fe reduction reaction z_Ni_ox = 2; %Number of electrons exchanged in the Ni oxidation reaction VO2 = 22.414; %Molar volume of 1 mol of O2, L/mol VNaCl = 16.6; %Molar volume of 1 mol NaCl, L/mol % ========================== end methods function obj = Constants() %Constants Construct an instance of this class % Constructor of the constants class that takes no arguments end end methods (Static = true) function [cH,cOH] = calculatecHandcOH(pH) %calculatecHandcOH calculate cH and cOH % Function that returns the concentration of H+ and OH- % ions in solution, based on the input pH value. cH = 10.0^-(pH); %mol/L cOH = 10.0^-(14.0-pH); %mol/L end function y = LinearLinear(b,x) %LinearLinear returns the solution of a linear-linear rational % Function which, for a set of 3 parameters, b(1), b(2), and, % b(3), and a domain, x, returns a range, y, for a % linear-linear rational function. num = b(1) + b(2).*x; denom = 1.0 + b(3).*x; y = num./denom; end end end