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Tong, Charles

Publications and source records attributed to Tong, Charles.

At least 19 records

Computational framework for modeling of physical process

Techniques, systems, and devices are described for providing a computational frame for estimating high-dimensional stochastic behaviors. In one exemplary aspect, a method for performing numerical estimation includes receiving a set of measurements of a stochastic behavior. The set of correlated measurements follows a non-standard probability distribution and is non-linearly correlated. Also, a non-linear relationship exists between a set of system variables that describes the stochastic behavior and a corresponding set of measurements. The method includes determining, based on the set of measurements, a numerical model of the stochastic behavior. The numerical model comprises a feature space comprising non-correlated features corresponding to the stochastic behavior. The non-correlated features have a dimensionality of M and the set of measurements has a dimensionality of N, M being smaller than N. The method includes generating a set of approximated system variables corresponding to the set of measurements based on the numerical model.

Chen, Xiao↗

Computational framework for modeling of physical process

Techniques, systems, and devices are described for providing a computational frame for estimating high-dimensional stochastic behaviors. In one exemplary aspect, a method for performing numerical estimation includes receiving a set of measurements of a stochastic behavior. The set of correlated measurements follows a non-standard probability distribution and is non-linearly correlated. Also, a non-linear relationship exists between a set of system variables that describes the stochastic behavior and a corresponding set of measurements. The method includes determining, based on the set of measurements, a numerical model of the stochastic behavior. The numerical model comprises a feature space comprising non-correlated features corresponding to the stochastic behavior. The non-correlated features have a dimensionality of M and the set of measurements has a dimensionality of N, M being smaller than N. The method includes generating a set of approximated system variables corresponding to the set of measurements based on the numerical model.

Chen, Xiao↗

psuade-lite

Lighter version of the Problem Solving environment for Uncertainty Analysis and Design Exploration (PSUADE)

Tong, Charles↗

Application of Sequential Design of Experiments (SDoE) to Large Pilot-Scale Solvent-Based CO2 Capture Process at Technology Centre Mongstad (TCM)

The United States Department of Energy’s Carbon Capture Simulation for Industry Impact (CCSI2) program has developed a framework for sequential design of experiments (SDoE) that aims to maximize knowledge gained from budget- and schedule-limited pilot scale testing. SDoE was applied to the planning and execution of campaigns for testing CO2 capture systems at pilot-scale in order to optimally allocate resources available for the testing. In this methodology, a stochastic process model is developed by quantifying the parametric uncertainty in submodels of interest; for a solvent-based CO2 capture system, these may include physical properties and equipment performance submodels (e.g., mass transfer, interfacial area). This uncertainty is propagated through the full process model, over variable operating conditions, for estimating the resulting uncertainty in key model outputs (e.g., percentage of CO2 capture, solvent regeneration energy requirement). In developing a data collection plan, the predicted output uncertainty is incorporated into an algorithm that seeks simultaneously to select process operating conditions for which the predicted uncertainty is relatively high and to ensure that the entire space of operation is well represented. This test plan is then used to guide operation of the pilot plant at varying steady-state conditions, with resulting process data incorporated into the existing model using Bayesian inference to refine parameter distributions. The updated stochastic model, with reduced parametric uncertainty from data collected, is then used to guide additional data collection, thus the sequential nature of the experimental design. The SDoE process was implemented at the pilot test unit (12 MWe in scale) at Norway’s Technology Centre Mongstad (TCM) in a summer 2018 test campaign with aqueous monoethanolamine (MEA). During the test campaign, the varied operating conditions included the flowrates of circulated solvent, flue gas, and reboiler steam and the CO2 concentration in the flue gas. The process data were used to update probability distributions of mass transfer and interfacial area parameters of a stochastic process model developed by the CCSI2 team. Two iterations of the SDoE process were executed, resulting in the uncertainty in model predicted CO2 capture percentage decreasing by an average of 58.0 ± 4.7% over the full input space of interest. This work demonstrates the potential of the SDoE process for model refinement through reduction in process model parametric uncertainty, and ultimately risk in scale-up, in CO2 capture technology performance.

carbon capture↗

MFIX-DEM Phi: Performance and Capability Improvements Towards Industrial Grade Open-source DEM Framework with Integrated Uncertainty Quantification

Two major challenges hinder the effective use and adoption of multiphase computational fluid dynamics tools by the industry. The first is the need for significant computational resources, which is inversely proportional to the accuracy of solutions due to computational intensity of the algorithms. The second barrier is assessing the prediction credibility and confidence in the simulation results. In this project, a multi-tiered approach has been proposed under four broad activities to overcome these challenges while addressing all of the objectives outlined in FOA-0001238 through Phases 1 and 2 of the project. The present report consists of the results for only Phase 1, which was the funded performance period. From the start the project, all of the objectives outlined in FOA were addressed through four major activity tasks in an integrated and balanced fashion to improve adoption of MFIX suite of solvers for industrial use. The first task aimed to improve the performance of MFIX-DEM specifically targeting to acquire the peak performance on Intel Xeon and Xeon Phi based systems, which are expected to be one of the primary high-performance computing platforms both affordable and available for the industrial users in the next two to five years. However, due to a number of changes in course of the project, the scope of the performance improvements related task was significantly reduced to avoid duplicate work. Hence, more emphasis was placed on the other three tasks as discussed below. The second task aimed at physical modeling enhancements through implementation of polydispersity capability and validation of heat transfer models in MFIX. An extended verification and validation (V&V) study was performed for the new polydispersity feature implemented in MFIX-DEM both for granular and coupled gas-solid flows. The features of the polydispersity capability and results for an industrially relevant problem were disseminated through journal papers (one published and one under review at the time of writing of the final technical report). As part of the validation efforts, another industrially relevant problem of interest based on rotary drums was studied for several modes of heat transfer and results were presented in conferences. Third task was aimed towards an important and unique contribution of the project, which was to develop a unified uncertainty quantification framework by integrating MFIX-DEM with a graphical user interface (GUI) driven uncertainty quantification (UQ) engine, i.e., MFIX-GUI and PSUADE. The goal was to enable a user with only modest knowledge of statistics to effectively utilize the UQ framework offered with MFIX-DEM Phi to perform UQ analysis routinely. For Phase 1, a proof-of-concept demonstration of the proposed framework was completed and shared. Direct industry involvement was one of the key virtues of this project, which was performed through forth task. For this purpose, even at the proposal stage, the project team received strong interest in the proposed capabilities from two major corporations, which were further expanded throughout Phase 1 and a new collaboration with another major corporation from chemical industry was also initiated. The level of interest received and continued collaboration for the project during Phase 1 clearly shows the relevance and potential impact of the project for the industrial users.

42 ENGINEERING↗

Expeditious modeling of vapor transport and reactions in polymeric materials

We present a methodology for approximating dynamic adsorption of vapor coupled with diffusion in polymeric materials. In previous publications, the dynamic adsorption was represented by ordinary differential equations (ODEs) and solved in concentration and parameter space. To accelerate the calculation, we have developed a statistical approximation method using computationally cheap surrogate models (e.g., algebraic polynomials) that replace the ODE solutions of adsorption and are coupled with the diffusion equations. Since the polynomial presentation of the adsorption term is obtained in a standard format prior to modeling coupled sorption‐diffusion, the adsorption operator can be expressed as input data in the transport code. Compared to conventional operator‐splitting methods, the polynomial approximation of adsorption offers better computational efficiency. The methodology is demonstrated and validated using a dynamic Langmuir adsorption model that is coupled to diffusion and absorption models and applied to a water vapor sorption‐diffusion process in polydimethylsiloxane polymers. © 2017 American Institute of Chemical Engineers AIChE J , 63: 4079–4089, 2017

Sun, Yunwei↗

Dynamic reduced-order models of integrated physics-specific systems for carbon sequestration

In this study, CO 2 leakage from a deep storage reservoir into a shallow groundwater aquifer through a wellbore is simulated using physics-specific models conceptualized as nonisothermal two-phase flow in a deep storage reservoir and through the wellbore, and reactive transport in the aquifer. Supercritical CO 2 is injected into the reservoir subsystem with uncertain permeabilities of reservoir and injection strategies (rate and duration as decision variables). The simulated pressure and CO 2 saturation at an uncertain location are connected to the wellbore model as a boundary condition to output CO 2 flux to the reactive transport model in the shallow aquifer. Uncertainties are propagated from the deep reservoir model, to the wellbore leakage model, and eventually to the reactive transport model, thus contributing to system performance. Finally, to minimize the risk associated with the CO 2 leakage, we develop dynamic reduced order models for quantifying and managing the uncertainty propagation.

58 GEOSCIENCES↗

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.

42 ENGINEERING↗

A comprehensive evaluation of various sensitivity analysis methods: A case study with a hydrological model

Sensitivity analysis (SA) is a commonly used approach for identifying important parameters that dominate model behaviors. We use a newly developed software package, a Problem Solving environment for Uncertainty Analysis and Design Exploration (PSUADE), to evaluate the effectiveness and efficiency of ten widely used SA methods, including seven qualitative and three quantitative ones. All SA methods are tested using a variety of sampling techniques to screen out the most sensitive (i.e., important) parameters from the insensitive ones. The Sacramento Soil Moisture Accounting (SAC-SMA) model, which has thirteen tunable parameters, is used for illustration. The South Branch Potomac River basin near Springfield, West Virginia in the U.S. is chosen as the study area. The key findings from this study are: (1) For qualitative SA methods, Correlation Analysis (CA), Regression Analysis (RA), and Gaussian Process (GP) screening methods are shown to be not effective in this example. Morris One-At-a-Time (MOAT) screening is the most efficient, needing only 280 samples to identify the most important parameters, but it is the least robust method. Multivariate Adaptive Regression Splines (MARS), Delta Test (DT) and Sum-Of-Trees (SOT) screening methods need about 400–600 samples for the same purpose. Monte Carlo (MC), Orthogonal Array (OA) and Orthogonal Array based Latin Hypercube (OALH) are appropriate sampling techniques for them; (2) For quantitative SA methods, at least 2777 samples are needed for Fourier Amplitude Sensitivity Test (FAST) to identity parameter main effect. McKay method needs about 360 samples to evaluate the main effect, more than 1000 samples to assess the two-way interaction effect. OALH and LPτ (LPTAU) sampling techniques are more appropriate for McKay method. For the Sobol' method, the minimum samples needed are 1050 to compute the first-order and total sensitivity indices correctly. These comparisons show that qualitative SA methods are more efficient but less accurate and robust than quantitative ones.

58 GEOSCIENCES↗

Module-based Hybrid Uncertainty Quantification for Multi-physics Applications: Theory and Software

In this project we proposed to develop an innovative uncertainty quantification methodology that captures the best of the two competing approaches in UQ, namely, intrusive and non-intrusive approaches. The idea is to develop the mathematics and the associated computational framework and algorithms to facilitate the use of intrusive or non-intrusive UQ methods in different modules of a multi-physics multi-module simulation model in a way that physics code developers for different modules are shielded (as much as possible) from the chores of accounting for the uncertain ties introduced by the other modules. As the result of our research and development, we have produced a number of publications, conference presentations, and a software product.

97 MATHEMATICS AND COMPUTING↗