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

Abstract

The excess molar enthalpy HmE, 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 HmE values obtained from this experimental data. Additionally, the excess partial molar enthalpy HiE was derived from the experimental HmE values. The intermolecular interaction function such as ∂HiE∂xi and ∂HjE∂xjwere also calculated. For the system consisting of acetophenone + 1,1,1-trichloroethane or + tetrachloroethene, the HmE values were found to be positive. Conversely, the HmE values for acetophenone + 1,2-dichloroethane or + 1,1,2,2- tetrachloroethane or + trichloroethene were observed to be negative. The magnitude of the HmE 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.