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You're conducting research for a chemical engineering project. What software should you use?

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Chemical engineering is a multidisciplinary field that involves designing, optimizing, and controlling processes that transform raw materials into valuable products. As a chemical engineer, you may need to conduct research for various purposes, such as developing new technologies, improving existing processes, or solving engineering problems. To perform effective and efficient research, you need to use the right software tools that can help you with different aspects of your project, such as data analysis, simulation, modeling, optimization, and visualization. In this article, we will introduce some of the most common and useful software for chemical engineering research and explain how they can benefit your work.

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1 Data Analysis Software

Data analysis is a crucial part of any research project, as it allows you to extract meaningful insights from your experimental or computational data. Data analysis software can help you with tasks such as data cleaning, manipulation, exploration, visualization, and statistical inference. Some of the popular data analysis software for chemical engineering research include Excel, MATLAB, Python, R, and SPSS. Each of these software has its own advantages and disadvantages, depending on your specific needs and preferences. For example, Excel is easy to use and widely available, but it may not be suitable for complex or large-scale data analysis. MATLAB and Python are powerful and versatile programming languages that offer many libraries and functions for data analysis, but they require some coding skills and learning curve. R and SPSS are specialized software for statistical analysis, but they may not be as flexible or user-friendly as other options.

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Ali Gholamalian

Senior Process Engineer
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Another approach to distinguish suitable software for this mean is whether it's an academic project or industrial one. Rarely, is used R in industrial projects, while MATLAB and Python are more acceptable as they can be merged into simulating or modeling software.

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2 Simulation Software

Simulation is a process of creating and testing virtual models of physical systems or phenomena. Simulation software can help you with tasks such as predicting the behavior and performance of your system under different conditions, evaluating the feasibility and safety of your design, and identifying the optimal parameters and variables for your process. Some of the common simulation software for chemical engineering research include Aspen Plus, COMSOL Multiphysics, Fluent, and Simulink. Each of these software has its own features and capabilities, depending on your specific goals and requirements. For example, Aspen Plus is a process simulation software that can model and optimize various chemical processes, such as distillation, reaction, separation, and heat exchange. COMSOL Multiphysics is a multiphysics simulation software that can model and solve coupled physical phenomena, such as fluid flow, heat transfer, mass transfer, and chemical reactions. Fluent is a computational fluid dynamics (CFD) software that can simulate and analyze fluid flow and related phenomena, such as turbulence, combustion, and multiphase flow. Simulink is a graphical programming software that can simulate and model dynamic systems, such as control systems, signal processing, and electrical circuits.

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Victor Joseph

Energy & Sustainability | Quality Assurance
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I once worked on a design project with a team. We designed a process for the production of 300,000kg/day of urea fertilizer from Ammonia and Carbondioxide using the Total Recycle Process. The major softwares we used include Aspen Hysys, Design Expert and Matlab.

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Esmaeil Jabbari

Project Process Engineer at the Project Engineering Department, Tehran Oil Refining Company (TORC)
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The choice of the best software for simulation activities in an industrial project is highly subjective and depends on specific project requirements. I recommend considering software options such as Aspen HYSYS, Pro-II, Petrosim, and others.

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Josep Martí

MBA-Chemical Engineer Driving Decarbonization, ESG & Cost Optimization
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Tools like Aspen HYSYS prove invaluable, providing engineers with the capability to identify optimal parameters and variables crucial for process efficiency. By virtually modeling and optimizing complex processes such as distillation, Aspen Plus enables engineers to identify the most energy-efficient configurations. This simulation-driven approach not only ensures optimal performance but also contributes significantly to sustainable and cost-effective operations.????

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3 Modeling Software

Modeling is a process of creating and representing mathematical or logical relationships between variables or entities. Modeling software can help you with tasks such as developing and validating your hypotheses, exploring and testing different scenarios, and generating and communicating your results. Some of the common modeling software for chemical engineering research include Mathematica, Maple, GAMS, and AMPL. Each of these software has its own strengths and limitations, depending on your specific needs and preferences. For example, Mathematica and Maple are symbolic computation software that can perform complex and advanced calculations, such as algebra, calculus, differential equations, and optimization. GAMS and AMPL are modeling languages that can formulate and solve various optimization problems, such as linear, nonlinear, mixed-integer, and stochastic optimization.

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4 Visualization Software

Visualization is a process of creating and displaying graphical or interactive representations of your data or models. Visualization software can help you with tasks such as enhancing and clarifying your data or models, revealing and exploring patterns and trends, and communicating and presenting your findings. Some of the common visualization software for chemical engineering research include Origin, Tableau, Plotly, and D3.js. Each of these software has its own advantages and disadvantages, depending on your specific needs and preferences. For example, Origin is a scientific graphing and data analysis software that can create and customize various types of charts, such as scatter, line, bar, pie, and contour. Tableau is a business intelligence and data visualization software that can create and share interactive dashboards and reports, such as maps, histograms, and treemaps. Plotly is a web-based data visualization software that can create and embed interactive charts and graphs, such as 3D surface, bubble, and box plots. D3.js is a JavaScript library that can create and manipulate data-driven documents, such as network, force-directed, and sunburst diagrams.

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Esteban Gerling

Project Manager | Master's in Materials Science and Engineering in progress | Electrotechnical | Industrial Chemist | Civil Engineering
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For my chemical engineering project, I use OriginPro software for data analysis and result presentation. OriginPro's advanced tools enhance statistical analysis and visualization, creating clear and informative graphs. The software's flexibility supports iterative project development for real-time adjustments and improved outcomes. Moreover, OriginPro facilitates seamless interaction with other software like Microsoft Office Word and PowerPoint, allowing for easy integration of graphs and results into project reports and presentations, further enhancing the overall quality and communication of the findings.

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Jason Grossardt, P.E.

Process Engineer IV at The Process Group, LLC
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The first visualization software I used was Tableau. It is a very helpful tool and working with experts in the field we were able to create a very powerful Energy Dashboard for the petroleum refinery I worked for. The manipulation of data was very useful to extract insights about the site and unit energy metrics. Later I became familiar with PowerBI by Microsoft. This platform has the advantage of potentially being part of a Microsoft Office package and also offers very good visualization and data manipulation options.

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5 Here’s what else to consider

This is a space to share examples, stories, or insights that don’t fit into any of the previous sections. What else would you like to add?

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Max Eliyon

Process engineer
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First of all, it is highly noticed that finding the type of plant we want to design. Some products are produced continuously meanwhile others are batch, e.g. pharmaceutical plants. Each simulator programmed to calculate thermodynamic equilibrium states, mass and heat transfer, fluid mechanic and reactions correspondent to a specific numerical method. Secondly, validation of data is the most important matter in simulation. Assessing results with experimental outcomes can help us to confidently assure that simulated information is reliable.

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You're conducting research for a chemical engineering project. What software should you use?

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3

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1 Data Analysis Software

2 Simulation Software

3 Modeling Software

4 Visualization Software

5 Here’s what else to consider

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