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.
- There is a very good and comprehensive site by Prof Schwarzenhuber of the École des Mines for those of us who can read French http://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
- 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 1749-7728,0.1016/j.ece.2010.12.002. http://www.sciencedirect.com/science/article/pii/S1749772811000030
- 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 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 are here ) This package has a rather readable source code and a useful manual.
Computer Programs (Executables etc.)
We are excited to announce our new, freely available, visualization mac-app ‘iRASPA’ to the molecular science community. iRASPA runs on MacOS “El Capitan” and higher.
iRASPA has been created by David Dubbeldam (University of Amsterdam, The Netherlands), Sofia Calero (Universidad Pablo de Olavide, Seville, Spain) and Thijs Vlugt (Delft University of Technology, The Netherlands) with contributions from Randall Q. Snurr (Northwestern University, Evanston, USA). Website: www.iraspa.org Gallery with example pictures made with iRASPA: Gallery Article link: Link to the article in 'Molecular Simulation Journal' (open access) App-store-link: View on App Store