Thermodynamic insights into ethane dehydrogenation: An examination of open-source process simulator predictive precisions for boosting reliability and widespread acceptance

Abstract

Process simulators are essential for training engineers in petrochemical, biochemical, and chemical industries, covering design, thermodynamics, and process integration. However, high licensing costs often limit access to commercial simulators, especially in resource-constrained institutions. This study compares Aspen HYSYS, DWSim, and COCO simulators in modeling ethane dehydrogenation, focusing on thermodynamic accuracy, mass and energy balances, and process performance. Results show that Aspen HYSYS and COCO, both using comprehensive thermodynamic models, closely match experimental data, while DWSim shows wider deviations. Temperature and pressure strongly influence ethane-to-ethylene conversion, consistent with experimental trends. COCO demonstrates comparable performance to the commercial tool, confirming its reliability for educational and research applications. The study promotes ethical software use and advocates adopting affordable freeware simulators to enhance accessibility, sustainability, and training quality in economically challenged regions.