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<p>Teaching vapor–liquid equilibrium in real fluid systems is often difficult because students must connect abstract thermodynamic relations with numerical calculations and engineering interpretation. This study presents a computational teaching case based on the binary CO<sub>2</sub>–H<sub>2</sub>S system to illustrate how fugacity-based equilibrium can be analyzed using the Peng–Robinson equation of state (EOS) in a commercial process simulator. The purpose of the work is not to generate new experimental thermodynamic data but to provide an instructional bridge between textbook thermodynamics and simulation-based engineering analysis. The methodology was applied as a guided modeling exercise for third-year undergraduate chemical technology students within the course <i>Modeling of Chemical Technological Processes</i>. By combining phase equilibrium theory, fugacity relations, and pressure-dependent flash calculations, the approach enables learners to interpret non-ideal vapor–liquid behavior in terms of equilibrium criteria, vapor fraction, and <i>p–x–y</i> relations, rather than treating simulator outputs as black-box results. The results show that the proposed framework can be used to explain how pressure influences phase splitting and composition in an acid gas mixture while preserving the thermodynamic meaning of the calculations. Instructor-based classroom observations indicated improved student engagement when the topic was taught through an industrially relevant simulation case instead of theory and hand calculations alone. Limited classroom performance data also suggested improved student outcomes after implementation of the simulator-based activity, although the present work does not constitute a full controlled educational study. Overall, the study shows that industrially relevant simulation exercises can support conceptual understanding of real-fluid thermodynamics and provide an effective pedagogical link between equilibrium theory and engineering practice.</p>

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Understanding high-pressure CO2–H2S phase equilibria using Aspen Plus and the Peng–Robinson equation of state

  • 期刊论文

  • 发表日期：

    2026年6月25日

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  • Adham Norkobilov,
  • Sanjar Ergashev,
  • Feruza Bobokulova,
  • Malika Kiyamova,
  • Fazliddin Meylikov,
  • Oybek Valiev,
  • Rustam Bozorov

摘要

Teaching vapor–liquid equilibrium in real fluid systems is often difficult because students must connect abstract thermodynamic relations with numerical calculations and engineering interpretation. This study presents a computational teaching case based on the binary CO2–H2S system to illustrate how fugacity-based equilibrium can be analyzed using the Peng–Robinson equation of state (EOS) in a commercial process simulator. The purpose of the work is not to generate new experimental thermodynamic data but to provide an instructional bridge between textbook thermodynamics and simulation-based engineering analysis. The methodology was applied as a guided modeling exercise for third-year undergraduate chemical technology students within the course Modeling of Chemical Technological Processes. By combining phase equilibrium theory, fugacity relations, and pressure-dependent flash calculations, the approach enables learners to interpret non-ideal vapor–liquid behavior in terms of equilibrium criteria, vapor fraction, and p–x–y relations, rather than treating simulator outputs as black-box results. The results show that the proposed framework can be used to explain how pressure influences phase splitting and composition in an acid gas mixture while preserving the thermodynamic meaning of the calculations. Instructor-based classroom observations indicated improved student engagement when the topic was taught through an industrially relevant simulation case instead of theory and hand calculations alone. Limited classroom performance data also suggested improved student outcomes after implementation of the simulator-based activity, although the present work does not constitute a full controlled educational study. Overall, the study shows that industrially relevant simulation exercises can support conceptual understanding of real-fluid thermodynamics and provide an effective pedagogical link between equilibrium theory and engineering practice.