Software Used by Chemical Engineers & Companies
- Sajal Sharma
- Published 01/09/2025

- Why Software Skills Matter in Chemical Engineering Jobs
- Types of Software in Chemical Engineering
- Best Process Simulation Softwares
- Computational Fluid Dynamics (CFD) Software
- Best Chemical Process Optimization Softwares
- Best Softwares for the Design of Heat Exchanger Network
- Data Analytics and Machine Learning Software
- Comparison of Popular Chemical Engineering Software
In today’s competitive industry, chemical engineering software has become an essential tool for process design, simulation, optimisation, and analysis. Whether working in manufacturing, energy, pharmaceuticals, or environmental engineering, chemical engineers rely on advanced tools to improve efficiency, safety, and sustainability.
If you’re aspiring to build a career in chemical engineering, understanding the software used in chemical engineering can give you a competitive edge, prepare you for high-demand roles in top chemical engineering software companies worldwide, and widen your chemical engineering scope tenfold.
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Know MoreWhy Software Skills Matter in Chemical Engineering Jobs
Proficiency in chemical engineering software is a key requirement for many industry roles. From designing chemical plants to simulating processes, engineers use these tools to test ideas, reduce costs, and ensure compliance with safety and environmental standards. Many chemical engineering software jobs specifically list proficiency in certain platforms as a prerequisite.
Types of Software in Chemical Engineering
- Chemical Engineering Simulation Software – Used for modelling complex processes (e.g., Aspen Plus, CHEMCAD).
- Chemical Engineering Design Software – For plant design, equipment specification, and process optimisation (e.g., AutoCAD Plant 3D).
- Data Analysis Tools – For statistical modelling, optimisation, and predictive analytics (e.g., MATLAB, Python).
- Free Tools – Chemical engineering software free download options like DWSIM are great for students and early-career engineers.
Best Process Simulation Softwares
Process simulation software allows chemical engineers to model, analyse, and optimise chemical processes before implementation, saving time, resources, and costs. These tools use thermodynamic models, mass and energy balances, and kinetic data to replicate real-world operations virtually.
- Aspen Plus – Industry leader for steady-state process modelling, cost estimation, and optimisation in petrochemicals, refining, and specialty chemicals.
- CHEMCAD – Flexible, customisable simulator for both batch and continuous processes.
- Pro/II – Popular in refining and gas processing industries for its robust thermodynamic database.
- DWSIM – An open-source option, making it an excellent free simulation software for chemical engineering learners.
Computational Fluid Dynamics (CFD) Software
CFD software is essential for analysing how fluids (liquids and gases) behave within equipment and processes. It helps engineers optimise designs for reactors, heat exchangers, pipelines, and other process equipment.
- ANSYS Fluent – Widely used for simulating fluid flow, heat transfer, and chemical reactions.
- COMSOL Multiphysics – Allows coupling of fluid dynamics with other physical processes, such as heat and mass transfer.
- OpenFOAM – A leading open-source CFD platform ideal for academic research and specialised industrial simulations.
Best Chemical Process Optimization Softwares
Process optimisation software helps maximise efficiency, minimise energy use, and reduce production costs while maintaining product quality.
- Aspen HYSYS – Integrates simulation and optimisation for oil, gas, and petrochemical processes.
- gPROMS – Handles dynamic modelling and optimisation for highly complex chemical and biochemical processes.
- MATLAB with optimisation toolboxes – Offers algorithmic flexibility for custom optimisation problems in process engineering.
Best Process Control Softwares
Process control tools ensure that chemical processes operate within safe and efficient parameters. These systems are crucial for automation, quality control, and compliance with safety regulations.
- MATLAB/Simulink – Allows simulation and testing of control strategies before plant implementation.
- Honeywell UniSim – Integrates process simulation with control and operator training systems.
- DeltaV Simulate – Used in distributed control systems (DCS) training and testing.
Best Softwares for the Design of Heat Exchanger Network
Designing an efficient Heat Exchanger Network (HEN) can drastically cut energy costs and improve sustainability.
- Aspen Energy Analyzer – Specialised in pinch analysis and heat integration for industrial processes.
- HExtran (part of Aspen Plus) – Focused on the design, rating, and simulation of heat exchangers.
- HTRI Xchanger Suite – Industry-standard for detailed thermal and mechanical design of exchangers.
Data Analytics and Machine Learning Software
With Industry 4.0, chemical engineers are increasingly using data analytics and machine learning to enhance predictive maintenance, process optimisation, and quality control.
- MATLAB – Offers built-in ML toolboxes for regression, classification, and predictive analytics.
- Python (Pandas, Scikit-learn, TensorFlow) – Widely adopted in process analytics and automation projects.
- Tableau/Power BI – Visual analytics platforms for monitoring process KPIs.
- KNIME – Open-source data analytics tool used for workflow-based machine learning and predictive modelling in process industries.
Be in chemical engineers’ role in pharmaceutical industries, or textile industries, or any other, the knowledge of chemical engineering tools helps get the job done more efficiently and diligently.
Comparison of Popular Chemical Engineering Software
Let us compare the various chemical engineering software based on their use, features, and whether they are paid or free.
Software | Primary Use | Key Features | Free/Paid |
Aspen Plus / Aspen HYSYS | Process simulation & optimisation | Thermodynamic modelling, plant design, cost estimation | Paid |
CHEMCAD | Process design & simulation | Batch/continuous simulation, equipment sizing, heat integration | Paid |
MATLAB | Data analysis & modelling | Mathematical modelling, algorithm development, integration with Simulink | Paid (Student versions available) |
COMSOL Multiphysics | Multiphysics process simulation | Coupled physical process modelling, custom interface building | Paid |
ANSYS Fluent | Computational Fluid Dynamics (CFD) | Fluid flow, heat transfer, chemical reaction simulations | Paid |
DWSIM | Process simulation | Thermodynamic models, chemical reactions, flowsheeting | Free (Open-source) |
AutoCAD Plant 3D | Plant layout & piping design | 3D plant modelling, piping isometrics, collaboration tools | Paid |
Pro/II Simulation | Process engineering simulation | Rigorous steady-state simulation, refinery process design | Paid |
COCO Simulator | Process simulation | Thermodynamic packages, unit operations, flowsheet creation | Free |
OpenModelica | Equation-based modelling | Open-source modelling language for simulation & optimisation | Free |
Best Chemical Engineering Software for Students and Professionals
While industry giants like AspenTech, ANSYS, and AVEVA dominate the market, students can start with free simulation software for chemical engineering to gain practical experience before moving to advanced paid platforms.
Careers in Chemical Engineering Software
Chemical engineers with software skills can explore roles in:
- Process Simulation and Optimisation
- Plant Design and Layout
- R&D and Product Development
- Safety and Environmental Compliance
Graduates from institutions like UPES gain exposure to the best chemical engineering software during their B.Tech program, preparing them for both core engineering roles and specialised positions in chemical engineering software companies.
Chemical Engineering Software List
Here’s a chemical engineering software list featuring some of the most widely used tools in the field (source):
- Aspen Plus / Aspen HYSYS – Widely used chemical engineering simulation software for process modelling, thermodynamics, and optimisation.
- CHEMCAD – Flexible simulation software for chemical engineering, ideal for continuous and batch process design.
- MATLAB – Used for data analysis, mathematical modelling, and chemical engineering design software tasks.
- COMSOL Multiphysics – A powerful simulation software for chemical engineering with capabilities for multiphysics modelling.
- ANSYS Fluent – Specialises in computational fluid dynamics (CFD) for process and equipment simulation.
- DWSIM – Popular free simulation software for chemical engineering with open-source capabilities.
- AutoCAD Plant 3D – Used for plant layout, piping design, and detailed engineering drawings.

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Closing Thoughts
Whether you aim to work in process design, R&D, or plant operations, mastering chemical engineering software is essential. From paid industrial-grade tools to chemical engineering software free download options, these platforms help bridge the gap between theory and real-world application. By learning the best chemical engineering software early in your career, you position yourself for success in top chemical engineering software jobs across the globe.
FAQs
What is process simulation software, and why is it important for chemical engineers?
Process simulation software enables chemical engineers to create virtual models of chemical processes, run simulations, and optimise operations. It is essential because it allows engineers to design and evaluate processes with higher accuracy, efficiency, and safety before implementing them in real-world settings.
What are some popular process simulation software options for chemical engineers?
Widely used process simulation tools include Aspen Plus, CHEMCAD, Pro/II, and COMSOL Multiphysics, each offering specialised capabilities for different aspects of chemical process design and analysis.
What is MATLAB, and how can it benefit chemical engineers?
MATLAB is a high-level computational platform used for mathematical modelling, data analysis, and process optimisation. For chemical engineers, it’s a versatile tool that supports simulations, control systems, and predictive analytics, making it valuable across various industry applications.
Can software solutions increase a chemical engineer’s productivity and efficiency?
Yes. Specialised software streamlines design and analysis workflows, automates repetitive tasks, and provides precise modelling and simulation capabilities—significantly improving both productivity and decision-making efficiency.
How can chemical engineers choose the best software solution for their needs?
Engineers should compare multiple software options, considering factors such as cost, available features, usability, and industry relevance. Testing trial versions and seeking input from peers or industry experts can help ensure an informed choice.
Are there any open-source software options for chemical engineers?
Yes. A range of open-source tools are available at no cost, offering capabilities for process modelling, simulation, and optimisation, making them especially useful for students, researchers, and smaller projects.
What are some popular open-source software options for chemical engineers?
Notable open-source tools include OpenModelica, OpenFOAM, GROMACS, and Cantera, each serving distinct purposes from dynamic system modelling to fluid flow and molecular simulations.
What is OpenModelica, and how can it benefit chemical engineers?
OpenModelica is an open-source modelling and simulation environment for complex dynamic systems. It helps chemical engineers design, test, and optimise processes with flexibility and precision.
What is OpenFOAM, and how can it benefit chemical engineers?
OpenFOAM is a powerful open-source computational fluid dynamics (CFD) software. It enables engineers to simulate fluid flow, heat transfer, and other physical phenomena critical to chemical process engineering.
Can open-source software solutions be as effective as commercial software solutions for chemical engineers?
In many cases, yes. Open-source tools can be highly effective for research, education, and smaller-scale industrial applications. However, commercial solutions often come with advanced features, integrations, and dedicated technical support.
Are there any limitations to using open-source software for chemical engineering?
Open-source platforms may require greater technical skill to install, configure, and operate effectively. They may also lack the regular updates, advanced features, and customer support available with commercial products.

Sajal Sharma
Sajal Sharma is a recognized expert in intellectual property law, with specialization in Air and Space Laws. His research focuses on protecting intellectual property in commercial outer space activities, addressing complexities in a domain considered the common heritage of mankind. Before joining UPES, he taught at Presidency University, Alliance University, Christ University, and IILS. His scholarship spans biological patents in the USA, EU, and India, and he now explores evolving legal frameworks around emerging technologies, particularly artificial intelligence and machine learning.
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