Published: 8 April 2024| Version 1 | DOI: 10.17632/cdcgbsrrhc.1
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## Description

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. 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. The results are interesting because a wide range of advanced design and simulation equations can be posed in Mathematica and run live in CHEMCAD.

## Steps to reproduce

We took the following steps to verify that the software connectivity, data maps, and calculations are working correctly. The work was verified by replicating a published example problem from the textbook by Seader and Henley [Reference 1]. In all cases, we achieved the exact same answers as in the published solution. We also had each contributor download the files and follow the procedure in the instructions file to make sure the guidance is correct. In the example, air containing only nitrogen and oxygen is continuously separated into a nitrogen-enriched retentate stream and an oxygen-enriched permeate stream by gas permeation through a low-density polyethylene membrane. The membrane is in the form of a thin-film composite with a 0.2-μm-thick membrane skin. A total of 20,000 SCFM of clean dry air with composition 79 mol% N2 and 21 mole% O2 at 150 psia and 78 deg F is sent to the separator. The solubilities and diffusivities of nitrogen and oxygen are taken from Table 14.6 in the reference. The material balance and molar flux equation are used to calculate the membrane area in square feet as a function of the cut (moles in the permeate divided by moles in the feed). Pressures of 150 psia on the retentate side and 15 psia on the permeate side are assumed, with perfect mixing on both sides of the membrane, such that compositions on both sides are uniform and equal to exit compositions. Pressure drops and any mass transfer resistances external to the membrane are neglected. Reference 1: J. Henley and E. Seader, Separation Process Principles, New York: Wiley, 1998, Example 14.5, pp. 705-707.