WANG Xiugang, SHEN Yang, TIAN Binghu, et al. Thermodynamic analysis on synthesis of sulfolene by group-contribution method[J]. CIESC Journal, 2016, (4): 1103-1109.
DOI:
WANG Xiugang, SHEN Yang, TIAN Binghu, et al. Thermodynamic analysis on synthesis of sulfolene by group-contribution method[J]. CIESC Journal, 2016, (4): 1103-1109.DOI: 10.11949/j.issn.0438-1157.20151302.
Thermodynamic analysis on synthesis of sulfolene by group-contribution method
The thermodynamic analysis of sulfolene synthesis reaction was carried out by group-contribution method. The reaction enthalpy
entropy
Gibbs free energy and equilibrium constant were calculated in the temperature range of 300—600 K and the pressure range of 0.1—10 MPa. The effects of temperature
pressure and reactant ratio on equilibrium conversion were also discussed. The calculation results indicate that sulfolene synthesis is a reversible exothermic reaction
and it is spontaneous when the temperature is less than 460 K at standard pressure. The reaction occurs more easily at lower temperatures and higher pressures. Temperature
pressure and the reactants ratio all show significant effect on equilibrium conversion
and the temperature is the most significant factor. Lower temperature
higher pressure and higher reactant ratio favor the promotion of equilibrium conversion
and the maximum equilibrium conversion is close to 1. The experimental results show good agreement with the thermodynamic calculation
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