Talk:Klincewicz method

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Untitled[edit]

There are several errors on this page, that have been propagated from the initial publications of the method (currently shown as reference 1). The errors are in the Pc from the group contribution method, and in the Pc and Vc from MW and atom count. The coefficients are incorrect in equations 11 and 15, and the ratio of MW/Pc should not be to the 1/2 power in equation 14. Correct coefficients for equations 11 and 15 are available in the data tables in the original thesis. That reference is:

Klincewicz, K. M., “Prediction of Critical Temperatures, Pressures, and Volumes of Organic Compounds from Molecular Structure,” S. M. Thesis, M.I.T. (1982).

I plan to verify the corrections with calculations for several compounds, and then correct the errors in the near future. The errors went unnoticed by prior contributors, and resulted in erroneous results being shown in two of the parity plots, so those will need to be removed or redone. The example calculations also will need to be corrected. Regards, --Stevethermo (talk) 23:43, 20 November 2013 (UTC)[reply]

  The equations are now corrected, and reference added.  The acetone example calculations are also fixed.
  The Pc and Vc parity plots need to be redone using values calculted from the corrected equations.
  Stevethermo (talk) 18:49, 21 November 2013 (UTC)[reply]