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Estimation of thermodynamic and physical properties of acyclic hydrocarbons using the ABC approach and conjugation operators.

Author(s) : CONSTANTINOU L., PRICKETT S. E., MAVROVOUNIOTIS M. L.

Type of article: Article

Summary

The ABC approach is based on the contributions of Atoms and Bonds in the properties of Conjugate forms of a molecular structure. In the article, the principles of this approach are applied to the estimation of thermodynamic and physical properties of hydrocarbons. Standard enthalpy of formation, standard entropy, normal boiling point, standard enthalpy of vaporization, critical pressure, critical temperature, and critical volume are estimated. Compared to a group-contribution approach , the ABC technique is more accurate, and it involves the same or substantially smaller number of parameters.

Details

  • Original title: Estimation of thermodynamic and physical properties of acyclic hydrocarbons using the ABC approach and conjugation operators.
  • Record ID : 1994-0790
  • Languages: English
  • Source: Ind. eng. Chem. Res. - vol. 32 - n. 8
  • Publication date: 1993/08
  • Document available for consultation in the library of the IIR headquarters only.

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