skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: The NETL MFiX Suite of multiphase flow models: A brief review and recent applications of MFiX-TFM to fossil energy technologies

Abstract

Here, the MFiX suite of multiphase computational fluid dynamics (CFD) codes is being developed at U.S. Department of Energy's National Energy Technology Laboratory (NETL). It includes several different approaches to multiphase simulation: MFiX-TFM, a two-fluid (Eulerian–Eulerian) model; MFiX-DEM, an Eulerian fluid model with a Lagrangian Discrete Element Model for the solids phase; and MFiX-PIC, Eulerian fluid model with Lagrangian particle ‘parcels’ representing particle groups. These models are undergoing continuous development and application, with verification, validation, and uncertainty quantification (VV&UQ) as integrated activities. After a brief summary of recent progress in the verification, validation and uncertainty quantification (VV&UQ), this article highlights two recent accomplishments in the application of MFiX-TFM to fossil energy technology development. First, recent application of MFiX to the pilot-scale KBR TRIG™ Transport Gasifier located at DOE's National Carbon Capture Center (NCCC) is described. Gasifier performance over a range of operating conditions was modeled and compared to NCCC operational data to validate the ability of the model to predict parametric behavior. Second, comparison of code predictions at a detailed fundamental scale is presented studying solid sorbents for the post-combustion capture of CO 2 from flue gas. Specifically designed NETL experiments are being used to validate hydrodynamics and chemical kineticsmore » for the sorbent-based carbon capture process.« less

Authors:
 [1];  [2];  [2];  [3];  [2];  [2];  [4]
  1. National Energy Technology Lab. (NETL), Morgantown, WV (United States); AECOM, Inc., Morgantown, WV (United States)
  2. National Energy Technology Lab. (NETL), Morgantown, WV (United States)
  3. National Energy Technology Lab. (NETL), Morgantown, WV (United States); West Virginia Univ. Research Corp., Morgantown, WV (United States)
  4. National Energy Technology Lab. (NETL), Morgantown, WV (United States); Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
National Energy Technology Lab. (NETL), Morgantown, WV (United States)
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1415468
Report Number(s):
A-CONTR-PUB-052
Journal ID: ISSN 0009-2509; PII: S0009250916304171
Grant/Contract Number:
FE0004000
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Chemical Engineering Science
Additional Journal Information:
Journal Volume: 169; Journal Issue: C; Journal ID: ISSN 0009-2509
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Multiphase flow; Computational fluid dynamics; Two-fluid model; Gasification; Carbon capture; Uncertainty quantification

Citation Formats

Li, Tingwen, Rogers, William A., Syamlal, Madhava, Dietiker, Jean -Francois, Musser, Jordan, Shahnam, Mehrdad, and Rabha, Swapna. The NETL MFiX Suite of multiphase flow models: A brief review and recent applications of MFiX-TFM to fossil energy technologies. United States: N. p., 2016. Web. doi:10.1016/j.ces.2016.07.043.
Li, Tingwen, Rogers, William A., Syamlal, Madhava, Dietiker, Jean -Francois, Musser, Jordan, Shahnam, Mehrdad, & Rabha, Swapna. The NETL MFiX Suite of multiphase flow models: A brief review and recent applications of MFiX-TFM to fossil energy technologies. United States. doi:10.1016/j.ces.2016.07.043.
Li, Tingwen, Rogers, William A., Syamlal, Madhava, Dietiker, Jean -Francois, Musser, Jordan, Shahnam, Mehrdad, and Rabha, Swapna. 2016. "The NETL MFiX Suite of multiphase flow models: A brief review and recent applications of MFiX-TFM to fossil energy technologies". United States. doi:10.1016/j.ces.2016.07.043. https://www.osti.gov/servlets/purl/1415468.
@article{osti_1415468,
title = {The NETL MFiX Suite of multiphase flow models: A brief review and recent applications of MFiX-TFM to fossil energy technologies},
author = {Li, Tingwen and Rogers, William A. and Syamlal, Madhava and Dietiker, Jean -Francois and Musser, Jordan and Shahnam, Mehrdad and Rabha, Swapna},
abstractNote = {Here, the MFiX suite of multiphase computational fluid dynamics (CFD) codes is being developed at U.S. Department of Energy's National Energy Technology Laboratory (NETL). It includes several different approaches to multiphase simulation: MFiX-TFM, a two-fluid (Eulerian–Eulerian) model; MFiX-DEM, an Eulerian fluid model with a Lagrangian Discrete Element Model for the solids phase; and MFiX-PIC, Eulerian fluid model with Lagrangian particle ‘parcels’ representing particle groups. These models are undergoing continuous development and application, with verification, validation, and uncertainty quantification (VV&UQ) as integrated activities. After a brief summary of recent progress in the verification, validation and uncertainty quantification (VV&UQ), this article highlights two recent accomplishments in the application of MFiX-TFM to fossil energy technology development. First, recent application of MFiX to the pilot-scale KBR TRIG™ Transport Gasifier located at DOE's National Carbon Capture Center (NCCC) is described. Gasifier performance over a range of operating conditions was modeled and compared to NCCC operational data to validate the ability of the model to predict parametric behavior. Second, comparison of code predictions at a detailed fundamental scale is presented studying solid sorbents for the post-combustion capture of CO2 from flue gas. Specifically designed NETL experiments are being used to validate hydrodynamics and chemical kinetics for the sorbent-based carbon capture process.},
doi = {10.1016/j.ces.2016.07.043},
journal = {Chemical Engineering Science},
number = C,
volume = 169,
place = {United States},
year = 2016,
month = 7
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Save / Share:
  • Computational Fluid Dynamics (CFD) simulations have emerged as a powerful tool for understanding multiphase flows that occur in a wide range of engineering applications and natural processes. A multiphase CFD code called MFIX has been under development at the National Energy Technology Laboratory (NETL) since the 1980s for modeling multiphase flows that occur in fossil fuel reactors. CFD codes such as MFIX are equipped with a number of numerical algorithms to solve a large set of coupled partial differential equations over three-dimensional grids consisting of hundreds of thousands of cells on parallel computers. Currently, the next generation version of MFIXmore » is under development with the goal of building a multiphase problem solving environment (PSE) that would facilitate the simple reuse of modern software components by application scientists. Several open-source frameworks were evaluated to identify the best-suited framework for the multiphase PSE. There are many requirements for the multiphase PSE, and each of these open-source frameworks offers functionalities that satisfy the requirements to varying extents. Therefore, matching the requirements and the functionalities is not a simple task and requires a systematic and quantitative decision making procedure. We present a multi-criteria decision making approach to determining a major system design decision, and demonstrate its application on the framework selection problem.« less
  • Five benchmark problems are developed and simulated with the computational fluid dynamics and discrete element model code MFiX. The benchmark problems span dilute and dense regimes, consider statistically homogeneous and inhomogeneous (both clusters and bubbles) particle concentrations and a range of particle and fluid dynamic computational loads. Several variations of the benchmark problems are also discussed to extend the computational phase space to cover granular (particles only), bidisperse and heat transfer cases. A weak scaling analysis is performed for each benchmark problem and, in most cases, the scalability of the code appears reasonable up to approx. 103 cores. Profiling ofmore » the benchmark problems indicate that the most substantial computational time is being spent on particle-particle force calculations, drag force calculations and interpolating between discrete particle and continuum fields. Hardware performance analysis was also carried out showing significant Level 2 cache miss ratios and a rather low degree of vectorization. These results are intended to serve as a baseline for future developments to the code as well as a preliminary indicator of where to best focus performance optimizations.« less
  • In this paper, numerical simulations of NETL/PSRI challenge problem of circulating fluidized bed (CFB) using the open-source code Multiphase Flow with Interphase eXchange (MFIX) are reported. Two rounds of simulation results are reported including the first-round blind test and the second-round modeling refinement. Three-dimensional high fidelity simulations are conducted to model a 12-inch diameter pilot-scale CFB riser. Detailed comparisons between numerical results and experimental data are made with respect to axial pressure gradient profile, radial profiles of solids velocity and solids mass flux along different radial directions at various elevations for operating conditions covering different fluidization regimes. Overall, the numericalmore » results show that CFD can predict the complex gas–solids flow behavior in the CFB riser reasonably well. In addition, lessons learnt from modeling this challenge problem are presented.« less
  • In the interaction of particles approaching a surface energy dissipation to the surface and charge exchange processes between the incoming ion or atom and the surface are two features which have found continuous interest over decades. Only few workers tried to resolve the interrelation of the change of the charge state of the incoming particle and the energy lost during the interaction. In this paper a brief review of earlier work in this field is given and some recently obtained new experimental and theoretical results are presented concerning the interaction of slow (2--5 keV) incoming He ions with a Ni(110)more » surface.« less
  • Evaluation of the fate and transport of carbon dioxide (CO 2) in deep reservoirs is crucial to the development of long-term geologic carbon sequestration (GCS) technologies. In this report, various studies using computed tomography (CT) scanning are utilized in conjunction with traditional flow tests to observe the multi-scale phenomena associated with CO 2 injection in geologic media. Pore scale analyses were performed to determine the infiltration characteristics of CO 2 into a brine saturated reservoir rock. Multiphase floods were performed to evaluate the saturation of CO 2 into a brine-saturated reservoir rock and determine how structural changes within the lithologymore » affect such interactions. Additionally, CO 2 induced swelling of unconventional reservoir rock was evaluated with respect to reductions in fracture transmissivity due to matrix swelling. These studies are just a few examples of the benefits of multi-scale CT imaging in conjunction with traditional laboratory methodology to gain a better understanding of the interactions between CO 2 and the lithologies it interacts with during GCS.« less