Process simulation software packages such as Aspen Technology’s Aspen HYSYS are used to mathematically model chemical processes, from unit operations to chemical plants and refineries. They are able to perform chemical engineering calculations concerned with mass balance, energy balance, phase equilibrium, heat transfer, mass transfer, chemical kinetics, fractionation, pressure drops and more. HYSYS is used extensively in industry and academia for steady-state and dynamic simulation, process design, performance modelling, and optimization.
An open source alternative to HYSYS is DWSIM. DWSIM is an open source chemical process simulator for Windows, Linux and macOS and features a Graphical User Interface, advanced thermodynamic calculations, reactions support and petroleum characterization / hypothetical component generation tools.
It was written and is maintained by Daniel Medeiros.
Download it here and try it.