Thermodynamic modeling of the hybrid sulfur (HyS) cycle for hydrogen production

Harnoor Kaur, Meng Wang, Maximilian B. Gorensek, Chau Chyun Chen

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


We have developed a comprehensive thermodynamic model for the ternary system sulfur dioxide + sulfuric acid + water based on a previously published thermodynamic model of the aqueous sulfuric acid system using the symmetric electrolyte NRTL (eNRTL) activity coefficient model. The eNRTL binary interaction parameters and the chemical equilibrium constants are regressed from experimental SO2 solubility data in aqueous sulfuric acid solutions. The model accurately represents all thermodynamic properties including vapor-liquid equilibrium, liquid-liquid equilibrium, calorimetric properties, and speciation over a wide acid concentration range, from pure water to pure sulfuric acid and pure sulfur dioxide, and temperatures from 273.15 to 393.15 K. The model should be very useful in supporting process research, development, and design of advanced water-splitting processes based on the hybrid sulfur (HyS) cycle.

Original languageEnglish
Pages (from-to)175-188
Number of pages14
JournalFluid Phase Equilibria
StatePublished - Mar 25 2018


  • Electrolyte NRTL model
  • Hybrid sulfur cycle
  • Sulfur dioxide
  • Sulfuric acid
  • Water-splitting


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