Brenda Ng

A flexible uncertainty quantification method for linearly coupled multi-physics systems

Abstract This paper presents a novel approach to building an integrated uncertainty quantification (UQ) methodology suitable for modern-day component-based approach for multi-physics simulation development. Our “hybrid” UQ methodology supports independent development of the most suitable UQ method, intrusive or non-intrusive, for each physics module by providing an algorithmic framework to couple these “stochastic” modules for propagating “global” uncertainties. We address algorithmic and computational issues associated with the construction of this hybrid framework. We demonstrate the utility of such a framework on a practical application involving a linearly coupled multi-species reactive transport model.

Advanced computational tools for optimization and uncertainty quantification of carbon capture processes

Advanced multi-scale modeling and simulation has the potential to dramatically reduce development time, resulting in considerable cost savings. The Carbon Capture Simulation Initiative (CCSI) is a partnership among national laboratories, industry and universities that is developing, demonstrating, and deploying a suite of multi-scale modeling and simulation tools. One significant computational tool is FOQUS, a Framework for Optimization and Quantification of Uncertainty and Sensitivity, which enables basic data submodels, including thermodynamics and kinetics, to be used within detailed process models to rapidly synthesize and optimize a process and determine the level of uncertainty associated with the resulting process. The overall approach of CCSI is described with a more detailed discussion of FOQUS and its application to carbon capture systems.

Innovative computational tools and models for the design, optimization and control of carbon capture processes

Abstract The development and scale up of cost effective carbon capture processes is of paramount importance to enable the widespread deployment of these technologies to significantly reduce greenhouse gas emissions. The U.S. Department of Energy initiated the Carbon Capture Simulation Initiative (CCSI) in 2011 with the goal of developing a computational toolset that would enable industry to more effectively identify, design, scale up, operate, and optimize promising concepts (Miller et al., 2014). The CCSI Toolset consists of both multi-scale models as well as new computational tools. This paper focuses specifically on the PSE-related computational tools and models that provide new capabilities for integrating multi-scale models with advanced optimization, uncertainty quantification (UQ), and surrogate modeling techniques.