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Hosein Ilokhani

Academic rank: Professor
ORCID:
Education: PhD.
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Faculty: Faculty of Chemistry and Petroleum Sciences
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Research

Title
Modeling of experimental excess molar enthalpy with Wilson, UNIQUAC, and NRTL for mixtures of acetophenone with chloro derivatives of ethane and ethene at T = 298.15 K
Type
JournalPaper
Keywords
Acetophenone Chloroethanes Chloroethenes Wilson UNIQUAC NRTL Redlich-Kister equation
Year
2024
Journal JOURNAL OF MOLECULAR LIQUIDS
DOI
Researchers ، Hosein Ilokhani ،

Abstract

The excess molar enthalpy HE m, was determined for systems consisting of acetophenone with chloro alkanes and alkenes derivatives. These derivatives include 1,2-dichloroethane, 1,1,1-trichloroethane, 1,1,2,2-tetrachloroethane, trichloroethene and tetrachloroethene at a temperature of T = 298.15 K. The Redlich-Kister relation fitting was used to analyze the HE m values obtained from this experimental data. Additionally, the excess partial molar enthalpy HEi was derived from the experimental HE m values. The intermolecular interaction function such as ∂HE i ∂xi and ∂HE j ∂xj were also calculated. For the system consisting of acetophenone + 1,1,1-trichloroethane or + tetrachloroethene, the HE m values were found to be positive. Conversely, the HE m values for acetophenone + 1,2- dichloroethane or + 1,1,2,2- tetrachloroethane or + trichloroethene were observed to be negative. The magnitude of the HE m values increased in chloroethanes as the number of chlorine atoms increased, and became more negative in chloroethenes. Based on the local composition theory, the Wilson model, the universal quasichemical (UNIQUAC) model, and the non-random two-liquid (NRTL) model were used to correlate these thermodynamic data. The results showed good agreement with the experimental enthalpy data.