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puran-water

Corrosion Engineering MCP Server

by puran-water
Ti.m4.01 kB
classdef Ti < corrodingMetal & handle %Ti Summary of this class goes here % Detailed explanation goes here methods function obj = Ti(name,ccl,T,pH) %Ti Construct an instance of this class % Detailed explanation goes here obj.Name = name; obj.cCl = ccl; obj.T = T; obj.pH = pH; obj.MetalMass = 47.88; %Molar mass of Ti, g/mol obj.OxidationLevelZ = 3; %Ti -> Ti3+ + 3e- obj.DeltaGMetalPassivation = obj.CalculateDeltaG('Passivation',obj.cCl,obj.pH,obj.T); obj.BetaMetalPassivation = 0.3; obj.DeltaGORR = obj.CalculateDeltaG('ORR',obj.cCl,obj.pH,obj.T); obj.BetaORR = 0.65; obj.delORR = 0.085; %cm obj.DeltaGHER = obj.CalculateDeltaG('HER',obj.cCl,obj.pH,obj.T); obj.BetaHER = 0.75; obj.delHER = 0.15; %cm obj.OxideMass = 143.76; %g/mol obj.OxideDensity = 4.49; %g/cm3 obj.ResistivityOfOxide = 50000.0e9; %Ohm/cm obj.PassiveCurrentDensity = 1.0e-6; %A/cm2 obj.PassiveFilmThickness = 2.5e-7; %cm end function actEnergies = CalculateDeltaG(obj,whichBarrier,ccl,ph,T) switch whichBarrier case 'ORR' %Expression to predict dG_cathodic without pH %dependence data = readmatrix('TiORRCoeffs.csv'); p00 = data(1); p10 = data(2); p01 = data(3); p20 = data(4); p11 = data(5); p02 = data(6); dgCathodic_nopH = p00 + p10*ccl + p01*T + p20*ccl^2 + p11*ccl*T + p02*T^2; dGCmax = 1.1*dgCathodic_nopH; dGCmin = 0.9*dgCathodic_nopH; m = (dGCmin-dGCmax)/(13-1); dgCathodic = m*(ph-13) + dGCmin; dgAnodic = 800.0e4; case 'HER' %Expression to predict dG_cathodic without pH %dependence data = readmatrix('TiHERCoeffs.csv'); p00 = data(1); p10 = data(2); p01 = data(3); p20 = data(4); p11 = data(5); p02 = data(6); dgCathodic_nopH = p00 + p10*ccl + p01*T + p20*ccl^2 + p11*ccl*T + p02*T^2; dGCmax = 1.1*dgCathodic_nopH; dGCmin = 0.9*dgCathodic_nopH; m = (dGCmin-dGCmax)/(13-1); dgCathodic = m*(ph-13) + dGCmin; dgAnodic = 1000.0e4; case 'Oxidation' dgAnodic = 0.0; dgCathodic = 0.0; case 'Passivation' %Expression to predict dG_anodic without pH %dependence data = readmatrix('TiPassCoeffs.csv'); p00 = data(1); p10 = data(2); p01 = data(3); p20 = data(4); p11 = data(5); p02 = data(6); dgAnodic_nopH = p00 + p10*ccl + p01*T + p20*ccl^2 + p11*ccl*T + p02*T^2; dGAmax = 1.1*dgAnodic_nopH; dGAmin = 0.9*dgAnodic_nopH; m = (dGAmin-dGAmax)/(13-1); dgAnodic = m*(ph-13) + dGAmin; dgCathodic = 80.0e4; end actEnergies = [dgCathodic,dgAnodic]; end end end

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