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Written by Peter Ahlstrom.

 

Useful web sites about thermodynamics


This prerelease is only open to working party members for commenting. After the meeting in Frankfurt in April an updated version will be publicly available - hopefully including some grading 

This incomplete list is a first result of the work of the members of the Working Party for Thermodynamics and Transport Properties within the EFCE who have collected a series of useful links, with emphasis on educational links. The list was then compiled by Peter Ahlström (University of Borås, Sweden) and is managed by Georgios Kontogeorgis at the DTU (Lyngby, Denmark).Among the contibutors are Prof Ralf Dorn (Bayer Technology Services, Leverkusen, Germany) and Dr Juha-Pekka Pokki (Aalto University, Helsinki, Finland).

Any comments or additions are welcome and should be sent to Peter Ahlström in Borås (peter.ahlstrom AT hb.se)

The members of the working party are also encouraged to grade the sites using the European scale A-F. The grades of sites that are graded by many WP members will be published on this site Send the grades stating site name and grade (preferentially for all sites you wish to grade in the same mail) to Peter Ahlström (address see above) who will compile a grading list.

General sites

There is a very good and comprehensive site by Prof Schwarzenhuber of the École des Mines for those of us who can read Frenchhttp://nte.mines-albi.fr/ThermoPro/co/ThermoPro_html_1.html

A long (somewhat personal) list of thermodynamics books is available at

http://www.eoht.info/page/Thims'+thermodynamics+book+collection

Textbook web sites

Normally these sites are accompanying the textbook and do not stand by themselves. Anyway a few of them follow here

 

Elliot and Lira, Introductory Chemical Engineering Thermodynamics, 2nd ed.

http://chethermo.net/

The old site (for the 1st edition)

http://www.egr.msu.edu/~lira/thermtxt.htm

Sandler, S.I., Chemical and Engineering thermodynamics, 3rd ed, Wiley

gives the supplementary Basic, Visual Basic or Mathcad files at the web page

http://www.che.udel.edu/thermo/thermobook.htm

Classes and lectures

From MIT (lectures by W. Craig Carter)

http://pruffle.mit.edu/3.00/Lecture_02_web/node2.html

Reference data

 

Standard reference data of NIST (the program costs and at the the page there is a webshop)

http://www.nist.gov/srd/

 

There is however the web-book which contains a lot of free data

http://webbook.nist.gov/

(requires a Java compatible web browser)

The Dortmund databank online search (to see if the system is measured but the search does not provide the data itself).

http://www.ddbst.com/en/online/Online_DDB_Form.php

For those who want to program their code by themselves the UNIFAC, UNIFAC-DO, PSRK, etc. parameter matrixes are here

 

http://www.ddbst.com/ChemThermo/Parameters/default.html

Open Source Thermodynamics Program Codes

Marcello Castier at the Texas A&M University at Qatar has made several open source codes for thermodynamics to be used in MS Excel. They are described in the published paper

M. Castier, Mohamed M. Amer, XSEOS: An evolving tool for teaching chemical engineering thermodynamics, Education for Chemical Engineers, Volume 6, Issue 2, April 2011, Pages e62-e70, ISSN 1749-7728, 10.1016/j.ece.2010.12.002.

http://www.sciencedirect.com/science/article/pii/S1749772811000030

Keywords: Equations of state; Excess properties; Phase equilibrium; Chemical equilibrium; Education


The original paper is 

XSEOS: An open software for chemical engineering thermodynamics Chem. Eng. Educ. 42 (2008), pp. 74-81, ISSN 0009-2479

The code should be possible to download from this link

http://people.qatar.tamu.edu/marcelo.castier/index.htm

 

It contains several xls-files but the actual source code in Visual Basic is in XSEOS-Add-in.xla

This package was nice and pretty easy to follow but the link is presently defunct

Another one is from University of Valladolid in Spain and contains MATLAB files in *.m format.

 

Ángel Martín, María Dolores Bermejo, Fidel A. Mato, María José Cocero, Teaching advanced equations of state in applied thermodynamics courses using open source programs, Education for Chemical Engineers, Volume 6, Issue 4, December 2011, Pages e114-e121, ISSN 1749-7728, 10.1016/j.ece.2011.08.003.

 

http://www.sciencedirect.com/science/article/pii/S1749772811000091

Keywords: Phase equilibrium; Open source programs; Cubic equations of state; Statistical associating fluid theory SAFT; Group contribution; Education; MATLAB; Octave

It can be downloaded from the link given in the above *.pdf paper

http://iqtma.uva.es/hpp/en/download/download.html

or as a supplementary material of the paper. This is a zipped file that includes the *.m files. Those must be extracted from the *.rar file before seeing the *.m files. (using, e.g., 7-zip on a PC, for Ubuntu linux uncompression instructions arehere 

This package has a rather readable source code and a useful manual.

Computer Programs (Executables etc.)

This section needs more input!