3. Improved Membrane Unit in Mathematica Linked to CHEMCAD

CHEMCAD is a suite of software for the simulation of chemical processes and the design of equipment. Mathematica is an entirely different type of software, providing powerful computer algebra tools and mathematical functions for the theoretical or numerical solution of advanced mathematical problems. This data set provides instructions with an example for connecting CHEMCAD to Mathematica through Excel. The example is a simple well-mixed membrane calculation with a fully specified feed stream split by the membrane into retentate and permeate streams. This data set is similar to Reference 1 in that the same feed and membrane specifications are used. In Reference 1, we used the algebraic solution provided in Reference 2, which was arrived at by the authors after a series of algebraic manipulations. What makes this data set different is that we invoked the symbolic engine in Mathematica, specifying only the governing equations and letting Mathematica arrive at the solution. This makes the model far more flexible since additional components can easily be added by adding additional flux and species mole balance equations and letting Mathematica re-derive the solution. The results are interesting because a wide range of advanced design and simulation equations can be posed in Mathematica and then used directly in simulations called from and running live in CHEMCAD.

Files and instructions for connecting the software using Mathematica Link for Excel are included. The software prerequisites are working, licensed copies of Mathematica, CHEMCAD, and Mathematica Link for Excel. Users without licenses can request free trials from the vendors.