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Chemical Engineers now have multiple ways to solve complex problems and design processes more efficiently using a variety of open-source tools. These tools are free to use, modify, and share, providing more flexibility and collaboration.
Software like DWSIM, OpenFOAM, and Pyomo are becoming popular choices among chemical engineers for process simulation and design. These tools not only reduce costs but also encourage collaboration and learning.
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Why do we need Open-Source Tools in Chemical Engineering?
- Zero Cost: It eliminates the need of expensive license fees.
- Full Transparency: User can inpect and understand the code, as it is openly avaialble.
- Customization: It enables modification and extended software to fit unique challenges.
- Strong Community Support: Access a global network of users and developers.
- Better Learning: Allows deepen understanding of core engineering principles.
Here, we will discuss the top categories of open-source tools across various areas in chemical engineering, including process simulation and design, CFD (Computational Fluid Dynamics), thermodynamics and physical properties, data analysis, and documentation.
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Process Simulation & Design
Designing and optimizing chemical plants require powerful simulation tools. Open-source options offer these capabilities without the heavy price tag. They also follow CAPE-OPEN standards (CO-LaN Website) for their seamless integration.
| Tool Name | Features | Website Link |
|---|---|---|
| DWSIM | Comprehensive, user-friendly, CAPE-OPEN compliant | dwsim.org |
| COCO Simulator | Modular flowsheeting, integrates CAPE-OPEN components | cocosimulator.org |
| ChemSep | Detailed simulation of separation processes (distillation) | chemsep.org |
DWSIM (Dare-Ware Simulator)
It is fully comprehensive process simulation software. (DWSIM Official Website)
DWSIM provides steady-state and dynamic modeling, a wide array of thermodynamic models, and numerous unit operations (reactors, columns, heat exchangers).
Its graphical interface makes it relatively easy to learn, which make it a better alternative to the commercial packages like Aspen Plus or HYSYS, especially for students and small to medium-sized enterprises.
COCO (CAPE-OPEN to CAPE-OPEN) Simulator
A modular environment for flexible process modeling. (COCO Simulator Website)
COCO is a versatile flowsheeting environment that lets you integrate various CAPE-OPEN-compliant unit operations and thermodynamic packages. Its modular design makes it ideal for combining specialized tools to simulate different aspects of your process seamlessly.
ChemSep
Best for separation processes. (ChemSep Website)
ChemSep is the best choice for rigorously model multi-component separation processes like distillation, absorption, or extraction, It can be used as a standalone program or as a CAPE-OPEN unit operation within simulators like DWSIM or COCO.
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Related : Visit our thermodynamic calculator for quick calculations
Thermodynamics & Physical Properties
Accurate thermodynamic and physical property data is the base of reliable chemical engineering calculations. Open-source tools in this area provide access to critical data and models.
| Tool Name | Feature | Website Link |
|---|---|---|
| CoolProp | Accurate fluid properties, extensive database, language wrappers | coolprop.org |
| Phases (DDBST) | Access to phase equilibrium data (VLE, LLE, SLE) | (related to DDBST) |
CoolProp
A library for high-accuracy fluid properties. (CoolProp Official Website)
CoolProp is an extensive C++ library (with wrappers for Python, MATLAB, Excel, etc.) providing thermophysical properties for a vast range of pure fluids, pseudo-pure fluids, and humid air.
It’s indispensable for researchers and engineers who need precise property data integrated into their custom calculations or software.
Phases (related to DDBST – Dortmund Data Bank)
For in-depth phase equilibria work. (Data often referenced via the Dortmund Data Bank)
While the complete DDBST database is commercially licensed, its community actively supports open-source tools and methods to access and utilize publicly available thermodynamic data, particularly phase equilibrium data like VLE, LLE, and SLE.
Computational Fluid Dynamics (CFD)
CFD is vital for understanding fluid flow, heat transfer, and chemical reactions within equipment. Open-source CFD tools offer immense power and customization.
| Tool Name | Feature | Website Link |
|---|---|---|
| OpenFOAM | Highly customizable, powerful for complex flows | openfoam.org |
| Salome Platform (with Code_Saturne) | Full pre/post-processing & CFD solver workflow | salome-platform.org |
OpenFOAM (Open Field Operation and Manipulation)
The C++ toolbox for custom CFD solutions. (OpenFOAM Official Website)
OpenFOAM is not just a solver; it’s a complete library for building custom numerical solvers to tackle a wide range of CFD problems, including turbulence, multiphase flows, and reacting flows.
Its unmatched flexibility makes OpenFOAM a powerful choice for advanced simulation needs. However, this flexibility comes with a steeper learning curve, making it especially suited for researchers and experienced CFD practitioners.
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What FREE software are you Chem Eng folks actually using? (Besides Excel lol)
byu/ChemEnggCalc inChemicalEngineering
Salome Platform & Code_Saturne
A complete open-source pipeline for CFD. (Visit Salome Platform and Code_Saturne)
Salome provides the pre- and post-processing environment (geometry creation, meshing, visualization), while Code_Saturne is a robust general-purpose CFD solver. Together, they offer a powerful, end-to-end open-source solution for complex CFD analyses.
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Data Analysis, Visualization & Programming
Chemical Engineering Processes produces data. These Open-source programming languages and their libraries are capable for analysis, visualization, and automation.
| Tool Name | Feature | Website Link |
|---|---|---|
| Python (with NumPy, SciPy, Pandas, Matplotlib) | Versatile scripting, vast scientific ecosystem | python.org (Libraries: NumPy, SciPy, Pandas, Matplotlib) |
| R | Statistical computing, advanced graphics, machine learning | r-project.org |
| GNU Octave / Scilab | Free MATLAB alternatives, numerical computation | gnu.org/software/octave/ / scilab.org |
Python (with its Scientific Stack)
Python is the open-source computational, data analysis tool for chemical engineers. (Python Official Website)
Python is equipped with libraries like NumPy (numpy.org) for numerical operations, SciPy (scipy.org) for scientific algorithms, Pandas (pandas.pydata.org) for data manipulation, and Matplotlib (matplotlib.org) for plotting.
Python can be used for everything from simple script automation and data processing to complex model development and machine learning.
R
This is the statistician’s choice for data analysis. (R Project Website)
R is a language and environment designed for statistical computing and graphics. It is used for heavy statistical modeling, experimental design (DoE), or advanced data visualization.
GNU Octave / Scilab
It is a Cost-free alternatives to MATLAB. (GNU Octave and Scilab)
If you are already familiar with MATLAB’s syntax and matrix-based computations, GNU Octave and Scilab offer very similar functionality for numerical analysis, algorithm development, and plotting, all without licensing fees.
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Documentation & Collaboration
Clear documentation and seamless collaboration are important for successful engineering projects. Here are some Open-source tools available.
| Tool Name | Feature | Website Link |
|---|---|---|
| LaTeX | Professional typesetting, especially for math & reports | latex-project.org |
| Git & GitHub/GitLab | Version control, collaborative code/document management | git-scm.com / github.com |
LaTeX
For beautifully typeset technical documents. (LaTeX Project Website)
When it comes to creatie professional-quality reports, theses, research papers, or books—especially those containing complex mathematical equations and figures—LaTeX is the gold standard. It offers precise control over document layout and formatting, ensuring clean and well-structured outputs.
Git & GitHub/GitLab
Essential for managing projects and collaborating. (GitHub or GitLab)
Git is a distributed version control system that tracks changes to your files, including code, scripts, and documents.
GitHub and GitLab enables web-based hosting of repositories, making it easier to manage teamwork, track issues, and streamline project management.
Related: 10 Mostly used Dimensionless Numbers in Chemical Engineering
Also Read: Online Psychrometric Calculator for Chemical Engineers
How to Learn these Tools
Ready to dive in? Here are a few tips:
- Identify Your Needs: What tasks would benefit most from an open-source tool?
- Start Simple: Pick one tool like DWSIM for simulation or Python for data tasks.
- Know the Community: Utilize forums, documentation (e.g., the OpenFOAM Wiki), and tutorials.
- Online Learning: Platforms like YouTube, Coursera, edX, and blogs like Real Python offer rich learning resources.
- Give Back: As you gain expertise, consider contributing to documentation, bug reports, or even code.
The Future is Open and Collaborative!
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The open-source tools for chemical engineering are growing rapidly. Utilizing these tools not only cuts costs but also deepens your understanding, drives innovation, and connects you with a global community committed to advancing the field.
Which open-source tools are essential in your chemical engineering projects? Share your favorites and any tips you have in the comments below!
Resources
- Process Control and Automation. Chemical Engineering Fundamentals Review
- Roush, J. (2020). Data Science and Machine Learning in Chemical Engineering. AIChE.
- American Chemical Society (ACS): https://www.acs.org
- Chemical & Engineering News (C&EN)Link: https://cen.acs.org
- Introduction to Chemical Engineering (Hardcover) by C M Van ‘t Land
- U.S. Department of Energy (DOE) https://www.energy.gov/science
Disclaimer: The content provided here is for educational purposes. While efforts ensure accuracy, results may not always reflect real-world scenarios. Verify results with other sources and consult professionals for critical applications. Contact us for any suggestions or corrections.
