ESM Software Software for Materials Science

Tips, Comments, and Bugs for HSC Chemistry 4.1

Tips

  • Gibb's Module - preparing reactants list. If you include a number of pure condensed phases in your reaction products list, do not forget to either identify each as a separate phase (by giving each its own phase row) or putting these compounds under the last phase row and selecting the Pure Substances in Last Phase option. If you do not do one of the above, HSC will treat all of these compound phases as an ideal solution phase. See page 56 of the documentation.

  • A direct link to the graphics module has been added to the Cp data fitting option. This allows the easy comparison of experimental and fitted data.

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Bugs

  • Heat Balance bug. To add or subtract heat from a reaction, the instructions indicate that all you need to do is add another line at the bottom of the input sheet and insert the heat input in the "Total H" column. When this is done it has NO effect on the temperature balance.

  • Duplicate NaAlF4 (g) Compounds. AlF4Na(g) and NaAlF4(g) are both in the database, but they are both identified as sodium tetrafluoroaluminate. They differ slightly in their thermodynamic properties. One is referenced JANAF 85, the other CRC 94. Since they do differ in properties, both show up in equilibrium results, but with different mole amounts. If you are working in this system, remove the CRC 94 phase from your list of possible reaction products.

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