|Title||Carbon Capture Simulation Initiative: A Case Study in Multiscale Modeling and New Challenges|
|Publication Type||Journal Article|
|Year of Publication||2014|
|Authors||Miller DC, Syamlal M, Mebane DS, Storlie CB, Bhattacharyya D, Sahinidis N, Agarwal DA, Tong C, Zitney SE, Sarkar A, Sun X, Sundaresan S, Ryan EM, Engel D, Dale C|
|Journal||Chemical and Biomolecular Engineering|
|Type of Article||Journal Article dcm|
|Keywords||Computational fluid dynamics, optimization, process control, process synthesis, risk analysis, Uncertainty Quantification|
Advanced multiscale modeling and simulation have the potential to dramatically reduce the time and cost to develop new carbon capture technologies. The Carbon Capture Simulation Initiative is a partnership among national laboratories, industry, and universities that is developing, demonstrating, and deploying a suite of such tools, including basic data submodels, steady-state and dynamic process models, process optimization and uncertainty quantification tools, an advanced dynamic process control framework, high-resolution filtered computational-fluid-dynamics (CFD) submodels, validated high-fidelity device-scale CFD models with quantified uncertainty, and a risk-analysis framework. These tools and models enable basic data submodels, including thermodynamics and kinetics, to be used within detailed process models to synthesize and optimize a process. The resulting process informs the development of process control systems and more detailed simulations of potential equipment to improve the design and reduce scale-up risk. Quantification and propagation of uncertainty across scales is an essential part of these tools and models.