Binary interaction parameters and MATLAB
Vapor liquid equilibrium (VLE) thermodynamic models use binary interaction parameters (BIPs) to determine thermodynamic behavior.
CHEMCAD can only use either VLE or LLE to calculate binary interaction parameters.
The prediction can be improved using a combination of different types of experimental data, e.g. vapor liquid equilibrium plus excess enthalpies. MATLAB can do this.
The code snippet shows how to write binary interaction parameters to CHEMCAD. The snippet does not show how to regress BIPs.
%Code snippet to read and write Binary Interaction Parameters %from CHEMCAD flowsheet through MATLAB. To get %Binary Interaction parameters from CHEMCAD using CCAPI, the %thermodynamic model should be selected first in CHEMCAD flowsheet. %Path to load the CCAPI DLL CCAPI = NET.addAssembly('D:\..\CGC.CC-API.dll'); %Put your .NET Interface key here license_key='.......' %Starting CHEMCAD Server chemcad = CCAPI.Server(license_key); %Path to the CHEMCAD flowsheet path='D:\..\Flash.cc7'; %Loading the CHEMCAD flowsheet to MATLAB chemcad.LoadFlowsheet(path); flowsheet=chemcad.CurrentFlowsheet; %Components Collection compCollection=flowsheet.Components; %First Component in the chemcad flowsheet firstComponent=compCollection.GetComponentAt(0); %Second Component in the chemcad flowsheet secondComponent=compCollection.GetComponentAt(1); %Read the Binary Interaction Parameters of the selected components bipValues=firstComponent.GetBinaryInteractionParameters(secondComponent); %Writing Binary interaction parameters to the MATLAB %command window Bij=bipValues.Get(0) Bji=bipValues.Get(1) Alpha=bipValues.Get(2) Aij=bipValues.Get(4) Aji=bipValues.Get(5) Cij=bipValues.Get(6) Cji=bipValues.Get(7) %Changing first Binary interaction parameter value bipValues.Set(0,45) %Use Put Binary Interaction parameters to pass modified %parameter to CHEMCAD firstComponent.PutBinaryInteractionParameters(secondComponent,bipValues) %GetBIP after changing one BIP Value bipValues=firstComponent.GetBinaryInteractionParameters(secondComponent); %Writing the modified parameter to the command window Bij=bipValues.Get(0) %Releasing the COM Objects chemcad.Release; chemcad=0; CCAPI=0; flowsheet=0;
Files:
Download Flash.cc7