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Journal of Mathematical Chemistry

, Volume 46, Issue 1, pp 15–23 | Cite as

Graphs and thermodynamics

  • Lionello Pogliani
Original Paper

Abstract

Graphs are used in many fields of chemistry for codification and model purposes. One of these fields is widely known under the acronym QSAR/QSPR, i.e., quantitative structure–activity/structure–property relationships. In chemical graph studies directed graphs, known as digraphs, i.e., graphs with a preferred direction, have mainly been used to codify chemical reaction networks. Actually, digraphs, especially directed acyclic graphs together with simple graphs, can be used to draw a metalanguage of thermodynamics that codifies rules and properties which can be used to automatically derive many well-known, and less-known, thermodynamic relationships.

Keywords

Directed graphs Simple graphs Thermodynamic digraphs Thermodynamic relationships 

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References

  1. 1.
    Newton G.N., Randall M.: Thermodynamics. McGraw-Hill, New York (1961) (revised by K.S. Pitzer, L. Brewer)Google Scholar
  2. 2.
    Bridgam P.W.: Phys. Rev. 3, 273 (1914)CrossRefGoogle Scholar
  3. 3.
    Shaw A.N.: Phil. Trans. Roy. Soc. Lond. A 334, 299 (1935)CrossRefGoogle Scholar
  4. 4.
    Pogliani L., Berberan-Santos M.N.: J. Math. Chem. 28, 313 (2000)CrossRefGoogle Scholar
  5. 5.
    Callen H.B.: Thermodynamics and Introduction to Thermostatistics. Wiley, New York (1985)Google Scholar
  6. 6.
    Koenig F.O.: J. Phys. Chem. 3, 29 (1935)CrossRefGoogle Scholar
  7. 7.
    Tisza L.: Generalized Thermodynamics. MIT Press, Cambridge (1977)Google Scholar
  8. 8.
    Phillips J.M.: J. Chem. Educ. 64, 674 (1987)Google Scholar
  9. 9.
    Rodriguez J., Brainard A.: J. Chem. Educ. 66, 495 (1989)Google Scholar
  10. 10.
    Pogliani L.: J. Chem. Inf. Comput. Sci. 38, 130 (1998)Google Scholar
  11. 11.
    Pogliani L.: MATCH Commun. Math. Comput. Chem. 47, 153 (2003)Google Scholar
  12. 12.
    Pogliani L.: J. Chem. Educ. 78, 680 (2001)CrossRefGoogle Scholar
  13. 13.
    Pogliani L.: Russ. J. Phys. Chem. 77, S183 (2003)Google Scholar
  14. 14.
    Pogliani L.: J. Chem. Inf. Comput. Sci. 32, 386 (1992)Google Scholar
  15. 15.
    Pogliani L.: J. Chem. Educ. 83, 155 (2006)Google Scholar
  16. 16.
    Rosen K.H.: . Discrete Mathematics and its Applications. McGraw-Hill, New York (1995)Google Scholar

Copyright information

© Springer Science+Business Media, LLC 2008

Authors and Affiliations

  1. 1.Dipartimento di ChimicaUniversità della CalabriaRendeItaly

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