You’re a chemical engineer. How do you know which simulation software is right for you?

The first thing to look for in a simulation software is what features and functions it offers to meet your specific needs. Depending on the type and scale of your project, you may need different capabilities such as steady-state or dynamic simulation, thermodynamic models, unit operations, reactors, solvers, optimization tools, data visualization, and more. You should also check if the software supports custom coding, integration with other applications, and user-defined libraries and extensions

When selecting simulation software, it's crucial to consider the complexity of your chemical processes. For instance, dynamic simulation is essential for capturing time-dependent behaviors in batch processes or control system strategies. Additionally, the availability of accurate thermodynamic models is key for predicting phase equilibria and properties in multi-component systems. Customizability through coding and extensions can greatly enhance the software's applicability to novel or proprietary processes.

When a novel user starts working with complex simulation software it is beneficial to get support from the the software company, which can be organized both on software and project content.

Let me add to the excellent contribution from my great colleague HARIHARAN V. Cost and Availability are critical and important in Teaching and Learning which we emphasize on LinkedIn. I always want my clients to gain hands on experience when I provide a Quantitative Modeling Solution to their decision support group. That includes Chemical Engineering Process Simulation, Risk Assessment, and Financial Modeling. This is also critical to get the buy in from regulatory groups which often come up (SEC, CFTC, and Auditors). I am not working with huge Artificial Intelligence Databases and I find the add on capabilities of MathWorks MATLAB fits well into an Excel framework. I have used other software as well but the real work is in the structuring.

In evaluating simulation software costs, it's crucial to consider the total cost of ownership, which includes not only the initial purchase price but also ongoing maintenance fees, training costs, and potential expenses for additional modules or upgrades. Availability is equally important; software with a broad user base is more likely to have a robust community for support, which can be invaluable for troubleshooting and learning advanced features. Compatibility with existing systems and the ability to integrate with other tools should also weigh heavily in the decision making process.

Sorry to say this, but trial and error is something for amateurs; in complicated software you should know what you do, especially when dealing with thermodynamics and certain equipment parameters. Finally, validation of the results against plant or research data is crucial to predict future process behavior.

Let me add to the excellent perspective from Peter Drogt. I want to be sure that I have access to the Quantitative Model itself, not just a format where I input variables. For example, if it's a Distillation Tower I want to see all the assumptions regarding Plate Efficiency and estimates of Channeling, Residence Time, and Reflux ratios. If it's a Petrochemical Derivatives Model, I want to see the Real Options, both Flexibility and Growth Options (also called Synergy). New features will soon include Correlation in addition to Causal factors. I want to see the details of the Model's assumptions. As a final comment, I want to be sure that the Simulation Converges on the Solution as it is being completed. The model transparency is critical.

The bigger simulation companies all generate regular updates. A point of attention is whether these are downwards compatible and also if the results of previous models change with the newer version. And a remark regarding future needs: these are hard to define and most of the time software companies are not transparent about their future developments.

For chemical engineers in the EPC setting, the correct simulation software is detailed in the project contract, agreed upon by the client and contractor.

I would like to add some reflections on my answer, and others, to build on this Post. Three amazing coincidences in the past week include: 1) A paper by Harvard Professor Andrei Shleifer who with his colleagues have just rewrote 40 years of established Finance Theory by Eugene Fama. 2) The CV released by MIT on the passing of Edward B. Roberts and his work on Technology and R&D projects. 3) The questions that are (or should be) raised about the euphoria regarding the stock market valuation of companies working on Artificial Intelligence and Machine Learning. Do not misinterpret what I am saying. I am firmly into the AI and ML space as a Quantitative Modeling person. Regarding Software Vendors be sure they provide access to their models.