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Title: Carbon Capture Simulation Initiative: A Case Study in Multi-Scale Modeling and New Challenges

Abstract: Advanced multi-scale modeling and simulation has the potential to dramatically reduce development time, resulting in considerable cost savings. The Carbon Capture Simulation Initiative is a partnership among national laboratories, industry and universities that is developing and deploying a suite of multi-scale modeling and simulation 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-dynamic (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.
 [1] ;  [1] ;  [1]
  1. U.S. DOE
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1947--5438
Resource Type:
Journal Article
Resource Relation:
Journal Name: Annual Review of Chemical and Biomolecular Engineering; Journal Volume: 5; Journal Issue: 1
Research Org:
National Energy Technology Laboratory - In-house Research; National Energy Technology Laboratory (NETL), Pittsburgh, PA, and Morgantown, WV (United States); Albany Research Center (ARC), Albany, OR (United States)
Sponsoring Org:
USDOE Office of Fossil Energy (FE)
Country of Publication:
United States
42 ENGINEERING; OPTIMIZATION; PROCESS CONTROL; RISK ASSESSMENT Optimization; Uncertainty Quantification; Process Synthesis; computional Fluid Dynamics; Process Control; Risk Analysis