#Chemical process modeling tools software

#Chemical process modeling tools software

The whole process, from model definition to the presentation of the results, is documented in the software for transparency and reproducibility. The workflow described above can be applied in many different fields that involve chemical reactions and in all scales, from nanotechnology and microreactors to environmental studies and geochemistry. Extend the investigations to space-dependent systems.Calculate kinetic, thermodynamic, and transport properties.Study reaction mechanisms in ideal, perfectly mixed systems.The Chemical Reaction Engineering Module is tailored for the typical workflow in chemistry and chemical engineering investigations, which involve the following incremental steps: Realistic descriptions of reacting systems in scientific and engineering studies often need to incorporate both transport phenomena and chemical reactions to understand and optimize a process or design. Overview of the Modeling Strategy and Workflow Additionally, the Chemical Reaction Engineering Module, along with other tools in COMSOLВ Multiphysics В®, provides state-of-the-art mathematical and numerical methods adapted for optimization and parameter estimation of chemical systems. Solving the model equations over and over for different inputs leads to a true understanding of the studied system. After developing a validated model, it can be used for studying different operating conditions and designs of reacting systems and transport phenomena. The Chemical Reaction Engineering Module, an add-on to the COMSOLВ Multiphysics В® software platform, provides user interfaces for creating, inspecting, and editing chemical equations, kinetic expressions, thermodynamic functions, and transport equations. Mathematical models help scientists, developers, and engineers understand processes, phenomena, and designs of reacting systems.

ProfessorВ Ricardez-Sandoval strongly believes that model uncertainty is essential for designing efficient mathematical tools that can be realistically applied in practice for process improvement.Understand and Optimize Chemical Processes and Designs Models are not perfect therefore, a key aspect in ProfessorВ Ricardez-SandovalвЂ™s research is the implementation of uncertainty analyses to assess process variability under uncertainty. In particular, theВ Research Group pursues the development of novel mathematical tools for the optimal design and control of systems under uncertainty, improvement of operation of traditional and state-of-the-art CO 2В capture and gasification technologies for power generation with near-zero emissions, providing insight into the operation and control of multiscale systems under uncertainty, and improving the performance of industrially-relevant process through the application of novel process systems engineering tools. Welcome to The Chemical Process Optimization, Multiscale Modelling and Process Systems Research GroupВ website! This is a group of self-motivated, hard-working graduate and undergraduate students withВ multi-disciplinary backgrounds that work together with ProfessorВ Ricardez-SandovalВ in the development and implementation of theoretical and computational-based tools that are aimed at improving the design and operability of chemical systems, including those that evolve at different time and length scales, and to provide new insight or better understanding of industrially-relevant processes.