Chemical Reaction Engineering Simulations

Chemical reaction simulations are used in the initial stages of development to understand the process or system. Once the process is well defined and understood, models are used to optimize and control process variables and parameters. Another use for modeling is to simulate scenarios that may be difficult to investigate experimentally. In all of these cases, models and simulations reduce the need for large numbers of experiments or building prototypes, and can potentially provide better insight into a process or design. This article explains some modeling strategies and provides an example model for a plug-flow reactor.