Dear all,
Unfortunately I am having trouble when trying Colloidal binding with SingleGRM to model a three-protein system (sorry for still using CADET in MATLAB).
The Colloidal binding model specifies that “Salt component has to be non-binding (component 0)”. However, I am uncertain whether the SingleGRM requires salt consideration when used in conjunction with Colloidal binding model.
Any help is appreciated! Thank you in advance!
Extract of my MATLAB code:
mGrm = SingleGRM();
% Discretization
mGrm.nComponents = 4;
mGrm.nCellsColumn = 50;
mGrm.nCellsParticle = 9;
mGrm.nBoundStates = ones(mGrm.nComponents, 1); % Number of bound states for each component
% Initial conditions (equilibrated empty column)
mGrm.initialBulk = [0.034693*1000 0.0 0 0]; % [mol / m^3], also used for the particle mobile phase
mGrm.initialSolid = [398 0.0 0 0]; % [mol / m^3]
% Transport
mGrm.dispersionColumn = 0.053077e-6; % [m^2 / s]
mGrm.filmDiffusion = [6.9e-6 6.9e-6 6.9e-6 6.9e-6]; % [m/s]
mGrm.diffusionParticle = [7e-10 1.07e-13 7.07e-12 12.07e-12]; % [m^2 / s]
mGrm.diffusionParticleSurface = [0.0 0 0 0]; % [m^2 / s]
mGrm.interstitialVelocity = 3.854e-4/0.8425; % [m/s]
% Geometry
mGrm.columnLength = 0.185; % [m]
mGrm.particleRadius = 5e-5; % [m]
mGrm.porosityColumn = 0.37; % [-]
mGrm.porosityParticle = 0.75; % [-]
% Adsorption
mCol = ColloidalBinding();%
%mCB.kineticBinding = true; % Quasi-stationary binding
mCol.phi = 1.6e8;
mCol.kappaExponent = 1;
mCol.kappaFactor = 1;
mCol.kappaConstant = 1;
mCol.cordNum = 6;
mCol.logKeqPhExponent = [0 0 0];
mCol.logKeqSaltPowerLawExponent = [0.001 0.001 0.001];
mCol.logKeqSaltPowerLawFactor = [-0.1 -0.1 -0.1];
mCol.logKeqSaltExpLawFactor = [10 10 10];
mCol.logKeqSaltExpLawExponentFactor = [-10000 -10000 -10000];
mCol.bppPhExponent = [0 0 0];
mCol.bppSaltPowerLawExponent = [0.1 0.1 0.1];
mCol.bppSaltPowerLawFactor = [1 1 1];
mCol.bppSaltExpLawFactor = [10 10 10];
mCol.bppSaltExpLawExponentFactor = [-10000 -10000 -10000];
mCol.radius = [5.5e-9 5.5e-9 5.5e-9];
mCol.kKin = [1 1 1];
mCol.linearizationThreshold = 1;
mCol.usePh = false;
mGrm.bindingModel = mCol;
% Specify inlet profile
% Reserve space: nSections x nComponents (a section can be thought of being a
% step in the process, see below)
mGrm.constant = zeros(3, mGrm.nComponents);
mGrm.linear = zeros(3, mGrm.nComponents);
mGrm.quadratic = zeros(3, mGrm.nComponents);
mGrm.cubic = zeros(3, mGrm.nComponents);
% Section 1: Loading phase
mGrm.constant(1,1) = 0.034693*1000; % [mol / m^3] component 1
mGrm.constant(1,2) = 0.219/150*10; % [mol / m^3] component 2
mGrm.constant(1,3) = 0.515/150*10; % [mol / m^3] component 3
mGrm.constant(1,4) = 0.152/150*10; % [mol / m^3] component 4
% Section 2: Washing phase (no protein feed)
mGrm.constant(2,1) = 0.034693*1000; % [mol / m^3] component 1
% Section 3: Elution phase (linear salt gradient with step at the beginning)
mGrm.constant(3,1) = 0.047544*1000; % [mol / m^3] component 1
mGrm.linear(3,1) = (0.095735-0.047544)*1000/12000; % [mol / (m^3 * s)] component 1
% Step 2: Create simulator and configure it
% Construct and configure simulator
sim = Simulator.create();
sim.solutionTimes = linspace(0, 2092.2+1440+12000, 1001); % [s], time points at which solution is computed
sim.sectionTimes = [0.0 2092.2 2092.2+1440 2092.2+1440+12000]; % [s]
sim.sectionContinuity = false(2,1);
sim.model = mGrm;
result = sim.run();
solution = [result.solution.time, squeeze(result.solution.outlet{1})];
%figure
subplot(2,1,1);
[hAx,hLine1,hLine2]=plotyy(solution(:, 1)-(2092.2+1440), solution(:, 3:end)*150,solution(:, 1)-(2092.2+1440), solution(:, 2));
xlabel('Time [s]');
ylabel('Concentration [g/L]');
axis(hAx(1),[0,12000,0,5])
axis(hAx(2),[0,12000,0,100])
hold on
