In the ever-evolving field of chemical engineering, selecting the right software can dramatically enhance your productivity, accuracy, and ability to innovate. Whether you're optimizing a refinery process, designing a new reactor, or integrating machine learning into your simulations, the tools you use make all the difference.

This 2025 guide brings you the latest and most powerful software solutions for chemical engineering professionals—from industry-standard giants like Aspen HYSYS and COMSOL Multiphysics to versatile programming environments such as Python and MATLAB, and even robust open-source tools like DWSIM and COCO. Whether you're a student, an academic, or a working engineer, there's a tool here for every budget and level of complexity.

Explore each software's strengths, ideal use cases, and current version highlights to help you decide which platform aligns best with your project needs and career goals.

So, let's start from the beginning...

General-Purpose Programming & Mathematical Tools

Python

Python continues its rapid growth in engineering, offering powerful packages like NumPy, SciPy, pandas, and Matplotlib for data analysis, differential equations, automation, and machine learning.

MATLAB & Simulink (2025)

MATLAB remains a preferred environment for numerical computing, algorithm development, and signal processing. Simulink offers dynamic modeling and control system simulation through an intuitive block diagram interface.

MS Excel + VBA

Still widely used across industry for quick calculations, process data evaluation, and integration with other platforms like CHEMCAD or Aspen HYSYS.

Process Simulators (Steady-State & Dynamic)

Aspen HYSYS & Aspen Plus

HYSYS is ideal for oil & gas and refining process modeling, especially for vapor-liquid equilibria and process optimization.
Aspen Plus is better suited for specialty and fine chemical applications and biomass processing.

CHEMCAD Suite

Offers steady-state and dynamic simulation modules, along with specialized tools for thermal design, safety calculations, and batch processing.

COMSOL Multiphysics 6.3

A powerful multiphysics simulation platform, integrating fluid flow, heat and mass transfer, reaction engineering, and custom PDE solving via finite element methods.

ProMax

Used heavily in gas processing applications such as amine treating and glycol dehydration. Originally based on legacy simulators like PROSIM and TSWEET.

Open-Source and Free Alternatives

DWSIM 8.7.0

A full-featured, cross-platform CAPE-OPEN compliant simulator offering thermodynamics packages, unit operations, optimization, and scripting support.

COCO Simulator

Free process simulation environment using CAPE-OPEN standards and TEA thermodynamic library. Well-suited for academic use and learning environments.

Specialized Tools: CFD & Multiphysics

ANSYS Fluent, STAR-CCM+, OpenFOAM, COMSOL
Used for computational fluid dynamics and advanced reactor or multiphase simulations. COMSOL is especially useful for finite element modeling and tightly integrated multiphysics problems.