Modelling of solubility of mercaptans in water at low concentrations

Rohani Mohd Zin, Khalik Mohamad Sabil*, Mohamed I.Abdul Mutalib, Christophe Coquelet

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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Mercaptans is one of the major volatile organosulfur compounds produced in natural environments. The presence of mercaptans creates a great threat to the environmental safety and can cause health problems due to their toxicity, even at low concentrations. Knowledge on the thermodynamics properties and vapor-liquid equilibria of mercaptans-water is important for environmental impact studies and engineering design particularly when dilute aqueous systems are involved. In this work, we propose a generalized thermodynamic framework that uses Soave, Redlich and Kwong (SRK) EOS/Peng-Robinson (PR) EOS coupled with Huron-Vidal mixing rules to correlate the solubility of mercaptans-in water systems at low concentration. For this approach, the Huron-Vidal mixing rule are combined with infinite-dilution activity coefficients and the procedure is based on the reduced UNIQUAC model, suitable for infinite-pressure conditions. New binary interaction parameters are reported for studied systems for a wide range of pressure. By employing the pure component parameters with the values of infinite dilution activity coefficients, the solubility of mercaptans in water at dilute concentrations was predicted quite satisfactorily. The results of Root Mean Square Error (RMSE) illustrated good accuracy of the studied models for all systems considered in this work, with values of about 1.14-5.12%.

Original languageEnglish
Title of host publication6th International Conference on Environment (ICENV 2018)
Subtitle of host publicationEmpowering Environment and Sustainable Engineering Nexus Through Green Technology
EditorsDerek Chan Juinn Chieh
PublisherAIP Publishing
ISBN (Electronic)9780735418646
Publication statusPublished - 24 Jul 2019
Event6th International Conference on Environment 2018 - Penang, Malaysia
Duration: 11 Dec 201813 Dec 2018

Publication series

NameAIP Conference Proceedings
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616


Conference6th International Conference on Environment 2018
Abbreviated titleICENV 2018

ASJC Scopus subject areas

  • Ecology, Evolution, Behavior and Systematics
  • Ecology
  • Plant Science
  • Physics and Astronomy(all)
  • Nature and Landscape Conservation


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