Formation of RAPID Center for Process Modeling

RAPID aims to improve energy efficiency, reduce feedstock waste, and improve productivity by promoting modular chemical process intensification (PI) for processing industries in the U.S. manufacturing sector. To facilitate consistent and objective evaluation of performance metrics of various PI projects, RAPID has established this program to support and/or perform first principles-based process modeling for both baseline and intensified processes.

Investigators

Chau-Chyun Chen
Professor

Date approved

July 01, 2017

An Experimentally Verified Physical Properties Database for Sorbent Selection and Simulation

This project works to close the gap seen in the intensified process fundamentals area around how to enabling modeling tools through the presentation of useful data for phenomena such as adsorption in complex systems. It looks to use meta-analysis of available databases to determine what data can currently be used with statistical confidence in its accuracy.

Investigators

David S. Sholl
Current TRL
3

RAPID Reaction Software Ecosystem

Intensified processes are spatially and/or temporally coupled systems need new modeling tools that go beyond systems analysis, and integrate reactor models with molecular scale models of chemical reactions. Current software at the quantum scale (density functional theory (DFT)) and the reactor scale (e.g., CFD) are widespread. In contrast, kinetics codes, especially for heterogeneous catalysis are at the proof-of-concept level due to outstanding technical barriers.

Investigators

Dion Vlachos
Allan and Myra Ferguson Professor of Chemical and Biomolecular Engineering

Date approved

January 01, 2018
Current TRL
3

Optimization Modeling for Advanced Syngas to Olefins Reactive Systems

Advanced reactor designs with multiple catalysts are game-changers for process intensification. These reactors transform large, complex processes with multiple reactors to one-shot reactors, where complex reaction mechanisms can be exploited within a single unit. Such designs lead to layered and mixed catalyst beds that overcome equilibrium limitations, manage heat effects and improve product selectivity.

Investigators

Lorenz T. Biegler
Professor of Chemical Engineering

Partner Organizations

Carnegie Mellon University Dow

Date approved

January 01, 2018
Current TRL
5

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