A Group Contribution Model for Determining the Vaporization Enthalpy of Organic Compounds at the Standard Reference Temperature of 298 K

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Article on a group contribution model for determining the vaporization enthalpy of organic compounds at the standard reference temperature of 298 K.

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56 p.

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Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Acree, William E. (William Eugene); Mohammadi, Amir H. & Ramjugernath, Deresh November 9, 2013.

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Article on a group contribution model for determining the vaporization enthalpy of organic compounds at the standard reference temperature of 298 K.

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56 p.

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This is the accepted manuscript version, reprinted with permission from Elsevier Science Ltd. The final definitive version is available here: http://dx.doi.org/10.1016/j.fluid.2013.06.046

Abstract: The vaporization enthalpy is regarded as a measure of molecular interactions in the vapor/liquid phase. It has a number of applications in chemical and petrochemical processes in which vapor-liquid equilibrium exists. Acree and Chickos [1], recently published a comprehensive compilation of phase change enthalpies, including vaporization enthalpies of pure organic and organometallic compounds. This collection of vaporization enthalpies for 2811 compounds at the standard temperature of 298.15 K was used in this study for the development of a predictive model. The compounds in the collection are composed of a combination of the following atoms, viz. carbon, hydrogen, nitrogen, oxygen, phosphorous, sulfur, fluorine, chlorine, bromine, and iodine. This paper presents a reliable group contribution model for the prediction of the vaporization enthalpies of organic compounds. The group contribution model developed is able to predict the standard molar enthalpies of vaporization to within an average absolute relative deviation of 3.7%, which is of sufficient accuracy for many practical applications in chemical and petrochemical engineering.

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  • Fluid Phase Equilibria, 2013, Amsterdam: Elsevier Science Ltd., pp. 279-292

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  • Publication Title: Fluid Phase Equilibria
  • Volume: 360
  • Page Start: 279
  • Page End: 292
  • Peer Reviewed: Yes

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  • November 9, 2013

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  • Nov. 8, 2013, 8:29 a.m.

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  • May 28, 2014, 2:09 p.m.

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Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Acree, William E. (William Eugene); Mohammadi, Amir H. & Ramjugernath, Deresh. A Group Contribution Model for Determining the Vaporization Enthalpy of Organic Compounds at the Standard Reference Temperature of 298 K, article, November 9, 2013; [Amsterdam, Netherlands]. (digital.library.unt.edu/ark:/67531/metadc228312/: accessed November 17, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.