Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation

Chen, Shaohua; Adepu, Manogna; Emady, Heather; Jiao, Yang; Gel, Aytekin

doi:10.1016/j.powtec.2017.04.055

Title: Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation

Abstract

Multiphase flows are ubiquitous in many industrial processes. The inherent coupling of different phases poses many unique challenges in predicting and effectively controlling these processes. Hence, computational modeling and simulation offers a viable approach to overcome these challenges. Here in this study, we present recent development efforts for enhancing the physical modeling capabilities of an open-source computational modeling tool for real life industrial multiphase processes by enabling particle-size polydispersity and demonstrating with an associated validation study. The proposed implementation was performed in MFIX open-source framework due to its unique feature of tightly integrated computational fluid dynamics and discrete element method solvers for simulating coupled continuum fluid and granular flows. We have implemented the polydispersity feature in a minimally invasive way and provided means to allow easy specification of an arbitrary particle size distribution function, which also enables the user to easily handle an arbitrary number of solid phases, each possessing a distinct arbitrary particle-size distribution. To establish the credibility of improvements, we have carried out a preliminary verification and validation (V&V) study for the polydispersity feature by employing a hopper bin discharge problem, which is frequently encountered in industrial applications. Specifically, two types of micro-glass beads with distinct size distributionsmore »« less

Authors:

Chen, Shaohua ^[1]; Adepu, Manogna ^[1]; Emady, Heather ^[1]; Jiao, Yang ^[1]; Gel, Aytekin ^[1]

Arizona State University, Tempe, AZ (United States)

Publication Date:: Tue Apr 25 00:00:00 EDT 2017

Research Org.:: Arizona State Univ., Tempe, AZ (United States)

Sponsoring Org.:: USDOE Office of Fossil Energy (FE); National Science Foundation (NSF)

OSTI Identifier:: 1534262

Alternate Identifier(s):: OSTI ID: 1398581

Grant/Contract Number:: FE0026393; AC02-05CH11231; ACI-1053575

Resource Type:: Accepted Manuscript

Journal Name:: Powder Technology

Additional Journal Information:: Journal Volume: 317; Journal Issue: C; Journal ID: ISSN 0032-5910

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 42 ENGINEERING; granular flow; polydisperse particles; discharge hopper; open-source modeling and simulation; discrete element method; DEM; MFIX-DEM

Citation Formats


                    Chen, Shaohua, Adepu, Manogna, Emady, Heather, Jiao, Yang, and Gel, Aytekin. Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation.  United States: N. p., 2017. 
Web.  doi:10.1016/j.powtec.2017.04.055.

Copy to clipboard


                    Chen, Shaohua, Adepu, Manogna, Emady, Heather, Jiao, Yang, & Gel, Aytekin. Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation.  United States.  https://doi.org/10.1016/j.powtec.2017.04.055

Copy to clipboard


                    Chen, Shaohua, Adepu, Manogna, Emady, Heather, Jiao, Yang, and Gel, Aytekin. Tue .  
"Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation".  United States.  https://doi.org/10.1016/j.powtec.2017.04.055.  https://www.osti.gov/servlets/purl/1534262.

Copy to clipboard


                    
@article{osti_1534262,

  title        = {Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation},

  author       = {Chen, Shaohua and Adepu, Manogna and Emady, Heather and Jiao, Yang and Gel, Aytekin},

  abstractNote = {Multiphase flows are ubiquitous in many industrial processes. The inherent coupling of different phases poses many unique challenges in predicting and effectively controlling these processes. Hence, computational modeling and simulation offers a viable approach to overcome these challenges. Here in this study, we present recent development efforts for enhancing the physical modeling capabilities of an open-source computational modeling tool for real life industrial multiphase processes by enabling particle-size polydispersity and demonstrating with an associated validation study. The proposed implementation was performed in MFIX open-source framework due to its unique feature of tightly integrated computational fluid dynamics and discrete element method solvers for simulating coupled continuum fluid and granular flows. We have implemented the polydispersity feature in a minimally invasive way and provided means to allow easy specification of an arbitrary particle size distribution function, which also enables the user to easily handle an arbitrary number of solid phases, each possessing a distinct arbitrary particle-size distribution. To establish the credibility of improvements, we have carried out a preliminary verification and validation (V&V) study for the polydispersity feature by employing a hopper bin discharge problem, which is frequently encountered in industrial applications. Specifically, two types of micro-glass beads with distinct size distributions are used to fill the hopper in two possible packing arrangements, i.e., well-mixed and layered configurations, with varying mass (particle number) ratios. The experimentally obtained discharge dynamics (e.g., normalized discharge mass fraction for one of the phases versus the overall discharge mass fraction) for different systems is found to be in excellent agreement with the corresponding simulation results.},

  doi          = {10.1016/j.powtec.2017.04.055},

  journal      = {Powder Technology},

  number       = C,

  volume       = 317,

  place        = {United States},

  year         = {Tue Apr 25 00:00:00 EDT 2017},

  month        = {Tue Apr 25 00:00:00 EDT 2017}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1016/j.powtec.2017.04.055

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 12 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Open-source MFIX-DEM software for gas–solids flows: Part I—Verification studies
journal, April 2012

Garg, Rahul; Galvin, Janine; Li, Tingwen
Powder Technology, Vol. 220
DOI: 10.1016/j.powtec.2011.09.019

The birth of a dinosaur footprint: Subsurface 3D motion reconstruction and discrete element simulation reveal track ontogeny
journal, December 2014

Falkingham, Peter L.; Gatesy, Stephen M.
Proceedings of the National Academy of Sciences, Vol. 111, Issue 51
DOI: 10.1073/pnas.1416252111

Prediction of conductive heating time scales of particles in a rotary drum
journal, October 2016

Emady, Heather N.; Anderson, Kellie V.; Borghard, William G.
Chemical Engineering Science, Vol. 152
DOI: 10.1016/j.ces.2016.05.022

Applying uncertainty quantification to multiphase flow computational fluid dynamics
journal, July 2013

Gel, A.; Garg, R.; Tong, C.
Powder Technology, Vol. 242
DOI: 10.1016/j.powtec.2013.01.045

Dense packings of the Platonic and Archimedean solids
journal, August 2009

Torquato, S.; Jiao, Y.
Nature, Vol. 460, Issue 7257
DOI: 10.1038/nature08239

Effects of intermediate wettability on entry capillary pressure in angular pores
journal, July 2016

Rabbani, Harris Sajjad; Joekar-Niasar, Vahid; Shokri, Nima
Journal of Colloid and Interface Science, Vol. 473
DOI: 10.1016/j.jcis.2016.03.053

Granular segregation in discharging cylindrical hoppers: A discrete element and experimental study
journal, November 2007

Ketterhagen, William R.; Curtis, Jennifer S.; Wassgren, Carl R.
Chemical Engineering Science, Vol. 62, Issue 22
DOI: 10.1016/j.ces.2007.07.052

Transport and mixing dynamics from explosions in debris-filled volcanic conduits: Numerical results and implications for maar-diatreme volcanoes
journal, September 2015

Sweeney, Matthew R.; Valentine, Greg A.
Earth and Planetary Science Letters, Vol. 425
DOI: 10.1016/j.epsl.2015.05.038

Challenges of DEM: II. Wide particle size distributions
journal, September 2014

Berger, Kyle J.; Hrenya, Christine M.
Powder Technology, Vol. 264
DOI: 10.1016/j.powtec.2014.04.096

Challenges of DEM: I. Competing bottlenecks in parallelization of gas–solid flows
journal, September 2014

Liu, Peiyuan; Hrenya, Christine M.
Powder Technology, Vol. 264
DOI: 10.1016/j.powtec.2014.04.095

Fluid dynamic simulation of O3 decomposition in a bubbling fluidized bed
journal, November 2003

Syamlal, Madhava; O'Brien, Thomas J.
AIChE Journal, Vol. 49, Issue 11
DOI: 10.1002/aic.690491112

Transient two-dimensional dynamics in the upper conduit of a rhyolitic eruption: A comparison of closure models for the granular stress
journal, May 2005

Dufek, J.; Bergantz, G. W.
Journal of Volcanology and Geothermal Research, Vol. 143, Issue 1-3
DOI: 10.1016/j.jvolgeores.2004.09.013

Open-source MFIX-DEM software for gas-solids flows: Part II — Validation studies
journal, April 2012

Li, Tingwen; Garg, Rahul; Galvin, Janine
Powder Technology, Vol. 220
DOI: 10.1016/j.powtec.2011.09.020

A hybrid tabulation-scaling implementation of Thornton and Ning's plastic–adhesive particle contact theory
journal, September 2014

Loh, Jonathan C. Y.; Ketterhagen, William R.; Elliott, James A.
Powder Technology, Vol. 264
DOI: 10.1016/j.powtec.2014.05.069

Analysis of flow and LDL concentration polarization in siphon of internal carotid artery: Non-Newtonian effects
journal, October 2015

Sharifi, Alireza; Niazmand, Hamid
Computers in Biology and Medicine, Vol. 65
DOI: 10.1016/j.compbiomed.2015.08.002

Development of parallel DEM for the open source code MFIX
journal, February 2013

Gopalakrishnan, Pradeep; Tafti, Danesh
Powder Technology, Vol. 235
DOI: 10.1016/j.powtec.2012.09.006

A Framework for Optimization and Quantification of Uncertainty and Sensitivity for Developing Carbon Capture Systems
journal, January 2014

Eslick, John C.; Ng, Brenda; Gao, Qianwen
Energy Procedia, Vol. 63
DOI: 10.1016/j.egypro.2014.11.113

MFIX-DEM simulations of change of volumetric flow in fluidized beds due to chemical reactions
journal, April 2012

Li, Tingwen; Guenther, Chris
Powder Technology, Vol. 220
DOI: 10.1016/j.powtec.2011.09.025

Transient multiphase processes during the explosive eruption of basalt through a geothermal borehole (Námafjall, Iceland, 1977) and implications for natural volcanic flows
journal, October 2007

Dartevelle, S.; Valentine, G. A.
Earth and Planetary Science Letters, Vol. 262, Issue 3-4
DOI: 10.1016/j.epsl.2007.07.053

Distinctive features arising in maximally random jammed packings of superballs
journal, April 2010

Jiao, Y.; Stillinger, F. H.; Torquato, S.
Physical Review E, Vol. 81, Issue 4
DOI: 10.1103/PhysRevE.81.041304

Hybrid parallelism in MFIX CFD-DEM using OpenMP
journal, June 2014

Liu, Handan; Tafti, Danesh K.; Li, Tingwen
Powder Technology, Vol. 259
DOI: 10.1016/j.powtec.2014.03.047

Optimal packings of superballs
journal, April 2009

Jiao, Y.; Stillinger, F. H.; Torquato, S.
Physical Review E, Vol. 79, Issue 4
DOI: 10.1103/PhysRevE.79.041309

Models, algorithms and validation for opensource DEM and CFD-DEM
journal, January 2012

Kloss, Christoph; Goniva, Christoph; Hager, Alice
Progress in Computational Fluid Dynamics, An International Journal, Vol. 12, Issue 2/3
DOI: 10.1504/PCFD.2012.047457

Numerical and experimental study of gas–particle radiative heat exchange in a fluidized-bed reactor for steam-gasification of coal
journal, January 2007

von Zedtwitz, P.; Lipiński, W.; Steinfeld, A.
Chemical Engineering Science, Vol. 62, Issue 1-2
DOI: 10.1016/j.ces.2006.09.027

Discrete element simulations of bed force anomalies due to force chains in dense granular flows
journal, March 2013

Estep, Joe; Dufek, Josef
Journal of Volcanology and Geothermal Research, Vol. 254
DOI: 10.1016/j.jvolgeores.2012.12.023

Comparison of stop—start and continuous sampling methods of studying segregation of materials discharging from a hopper
journal, January 1985

Standish, N.; Kilic, A.
Chemical Engineering Science, Vol. 40, Issue 11
DOI: 10.1016/0009-2509(85)87036-6

Investigation of screening performance of banana screens using LIGGGHTS DEM solver
journal, October 2015

Jahani, M.; Farzanegan, A.; Noaparast, M.
Powder Technology, Vol. 283
DOI: 10.1016/j.powtec.2015.05.016

A modified cohesion model for CFD–DEM simulations of fluidization
journal, August 2016

Gu, Yile; Ozel, Ali; Sundaresan, Sankaran
Powder Technology, Vol. 296
DOI: 10.1016/j.powtec.2015.09.037

Nonintrusive Uncertainty Quantification of Computational Fluid Dynamics Simulations of a Bench-Scale Fluidized-Bed Gasifier
journal, November 2016

Gel, Aytekin; Shahnam, Mehrdad; Musser, Jordan
Industrial & Engineering Chemistry Research, Vol. 55, Issue 48
DOI: 10.1021/acs.iecr.6b02506

Works referencing / citing this record:

Application of the Discrete Element Method for Manufacturing Process Simulation in the Pharmaceutical Industry
journal, August 2019

Yeom, Su Bin; Ha, Eun-Sol; Kim, Min-Soo
Pharmaceutics, Vol. 11, Issue 8, p. 414
DOI: 10.3390/pharmaceutics11080414

Similar Records in DOE PAGES and OSTI.GOV collections:

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

Technical Report Gel, Aytekin ; Jiao, Yang ; Emady, Heather ; ...

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 onlymore »« less
https://doi.org/10.2172/1439328

Full Text Available
MFIX DEM Enhancement for Industry-Relevant Flows (Final Report)

Technical Report Hrenya, Christine M. ; Hauser, Thomas ; Grout, Ray ; ...

The overall goal of this two-phase project is to implement performance improvements of the Multiphase Flow with Interphase Exchanges (MFIX) Discrete Element Model (DEM) code that enable a transformative shift for industrial use. Prior to this effort, the largest simulations performed using MFIX are O(10⁷) particles. This falls short of the O(10⁹) particle simulations that must be completed on a timescale of days or weeks (vs. months or years) to enable simulations with physically-relevant domain sizes to be incorporated into industrial design cycles within five years. This was accomplished by tailoring best-in-class practices to bear on the unique challenges posedmore »« less
https://doi.org/10.2172/1847911

Full Text Available
Toward Polydisperse Flows With _MFIX-EXA

Journal Article Lattanzi, Aaron M. ; Fullmer, William D. ; Myers, Andrew T. ; ... - Journal of Fluids Engineering

In the presence of large size disparities, single-grid neighbor search algorithms lead to inflated neighbor lists that significantly degrade the performance of Lagrangian particle solvers. If Eulerian–Lagrangian (EL) frameworks are to remain performant when simulating realistic systems, improved neighbor detection approaches must be adopted. To this end, we consider the application of a multigrid neighbor search (MGNS) algorithm in the mfix-exa software package, an exascale EL solver built upon the AMReX library. Here, details regarding the implementation and verification of MGNS are provided along with speedup curves for a bidisperse mixing layer. MGNS is shown to yield up to 15more »« less
https://doi.org/10.1115/1.4064533
Development, Verification, and Validation of Multiphase Models for Polydisperse Flows

Technical Report Hrenya, Christine ; Cocco, Ray ; Fox, Rodney ; ...

This report describes in detail the technical findings of the DOE Award entitled 'Development, Verification, and Validation of Multiphase Models for Polydisperse Flows.' The focus was on high-velocity, gas-solid flows with a range of particle sizes. A complete mathematical model was developed based on first principles and incorporated into MFIX. The solid-phase description took two forms: the Kinetic Theory of Granular Flows (KTGF) and Discrete Quadrature Method of Moments (DQMOM). The gas-solid drag law for polydisperse flows was developed over a range of flow conditions using Discrete Numerical Simulations (DNS). These models were verified via examination of a range ofmore »« less
https://doi.org/10.2172/1039998

Full Text Available
Open-source MFIX-DEM software for gas-solids flows: Part II — Validation studies

Journal Article Li, Tingwen ; Garg, Rahul ; Galvin, Janine ; ... - Powder Technology

With rapid advancements in computer hardware and numerical algorithms, computational fluid dynamics (CFD) has been increasingly employed as a useful tool for investigating the complex hydrodynamics inherent in multiphase flows. An important step during the development of a CFD model and prior to its application is conducting careful and comprehensive verification and validation studies. Accordingly, efforts to verify and validate the open-source MFIX-DEM software, which can be used for simulating the gas–solids flow using an Eulerian reference frame for the continuum fluid and a Lagrangian discrete framework (Discrete Element Method) for the particles, have been made at the National Energymore »« less
https://doi.org/10.1016/j.powtec.2011.09.020

Similar Records

Title: Enhancing the physical modeling capability of open-source MFIX-DEM software for handling particle size polydispersity: Implementation and validation

Abstract

Citation Formats

Open-source MFIX-DEM software for gas–solids flows: Part I—Verification studies journal, April 2012

The birth of a dinosaur footprint: Subsurface 3D motion reconstruction and discrete element simulation reveal track ontogeny journal, December 2014

Prediction of conductive heating time scales of particles in a rotary drum journal, October 2016

Applying uncertainty quantification to multiphase flow computational fluid dynamics journal, July 2013

Dense packings of the Platonic and Archimedean solids journal, August 2009

Effects of intermediate wettability on entry capillary pressure in angular pores journal, July 2016

Granular segregation in discharging cylindrical hoppers: A discrete element and experimental study journal, November 2007

Transport and mixing dynamics from explosions in debris-filled volcanic conduits: Numerical results and implications for maar-diatreme volcanoes journal, September 2015

Challenges of DEM: II. Wide particle size distributions journal, September 2014

Challenges of DEM: I. Competing bottlenecks in parallelization of gas–solid flows journal, September 2014

Fluid dynamic simulation of O3 decomposition in a bubbling fluidized bed journal, November 2003

Transient two-dimensional dynamics in the upper conduit of a rhyolitic eruption: A comparison of closure models for the granular stress journal, May 2005

Open-source MFIX-DEM software for gas-solids flows: Part II — Validation studies journal, April 2012

A hybrid tabulation-scaling implementation of Thornton and Ning's plastic–adhesive particle contact theory journal, September 2014

Analysis of flow and LDL concentration polarization in siphon of internal carotid artery: Non-Newtonian effects journal, October 2015

Development of parallel DEM for the open source code MFIX journal, February 2013

A Framework for Optimization and Quantification of Uncertainty and Sensitivity for Developing Carbon Capture Systems journal, January 2014

MFIX-DEM simulations of change of volumetric flow in fluidized beds due to chemical reactions journal, April 2012

Transient multiphase processes during the explosive eruption of basalt through a geothermal borehole (Námafjall, Iceland, 1977) and implications for natural volcanic flows journal, October 2007

Distinctive features arising in maximally random jammed packings of superballs journal, April 2010

Hybrid parallelism in MFIX CFD-DEM using OpenMP journal, June 2014

Optimal packings of superballs journal, April 2009

Models, algorithms and validation for opensource DEM and CFD-DEM journal, January 2012

Numerical and experimental study of gas–particle radiative heat exchange in a fluidized-bed reactor for steam-gasification of coal journal, January 2007

Discrete element simulations of bed force anomalies due to force chains in dense granular flows journal, March 2013

Comparison of stop—start and continuous sampling methods of studying segregation of materials discharging from a hopper journal, January 1985

Investigation of screening performance of banana screens using LIGGGHTS DEM solver journal, October 2015

A modified cohesion model for CFD–DEM simulations of fluidization journal, August 2016

Nonintrusive Uncertainty Quantification of Computational Fluid Dynamics Simulations of a Bench-Scale Fluidized-Bed Gasifier journal, November 2016

Application of the Discrete Element Method for Manufacturing Process Simulation in the Pharmaceutical Industry journal, August 2019

Open-source MFIX-DEM software for gas–solids flows: Part I—Verification studies
journal, April 2012

The birth of a dinosaur footprint: Subsurface 3D motion reconstruction and discrete element simulation reveal track ontogeny
journal, December 2014

Prediction of conductive heating time scales of particles in a rotary drum
journal, October 2016

Applying uncertainty quantification to multiphase flow computational fluid dynamics
journal, July 2013

Dense packings of the Platonic and Archimedean solids
journal, August 2009

Effects of intermediate wettability on entry capillary pressure in angular pores
journal, July 2016

Granular segregation in discharging cylindrical hoppers: A discrete element and experimental study
journal, November 2007

Transport and mixing dynamics from explosions in debris-filled volcanic conduits: Numerical results and implications for maar-diatreme volcanoes
journal, September 2015

Challenges of DEM: II. Wide particle size distributions
journal, September 2014

Challenges of DEM: I. Competing bottlenecks in parallelization of gas–solid flows
journal, September 2014

Fluid dynamic simulation of O3 decomposition in a bubbling fluidized bed
journal, November 2003

Transient two-dimensional dynamics in the upper conduit of a rhyolitic eruption: A comparison of closure models for the granular stress
journal, May 2005

Open-source MFIX-DEM software for gas-solids flows: Part II — Validation studies
journal, April 2012

A hybrid tabulation-scaling implementation of Thornton and Ning's plastic–adhesive particle contact theory
journal, September 2014

Analysis of flow and LDL concentration polarization in siphon of internal carotid artery: Non-Newtonian effects
journal, October 2015

Development of parallel DEM for the open source code MFIX
journal, February 2013

A Framework for Optimization and Quantification of Uncertainty and Sensitivity for Developing Carbon Capture Systems
journal, January 2014

MFIX-DEM simulations of change of volumetric flow in fluidized beds due to chemical reactions
journal, April 2012

Transient multiphase processes during the explosive eruption of basalt through a geothermal borehole (Námafjall, Iceland, 1977) and implications for natural volcanic flows
journal, October 2007

Distinctive features arising in maximally random jammed packings of superballs
journal, April 2010

Hybrid parallelism in MFIX CFD-DEM using OpenMP
journal, June 2014

Optimal packings of superballs
journal, April 2009

Models, algorithms and validation for opensource DEM and CFD-DEM
journal, January 2012

Numerical and experimental study of gas–particle radiative heat exchange in a fluidized-bed reactor for steam-gasification of coal
journal, January 2007

Discrete element simulations of bed force anomalies due to force chains in dense granular flows
journal, March 2013

Comparison of stop—start and continuous sampling methods of studying segregation of materials discharging from a hopper
journal, January 1985

Investigation of screening performance of banana screens using LIGGGHTS DEM solver
journal, October 2015

A modified cohesion model for CFD–DEM simulations of fluidization
journal, August 2016

Nonintrusive Uncertainty Quantification of Computational Fluid Dynamics Simulations of a Bench-Scale Fluidized-Bed Gasifier
journal, November 2016

Application of the Discrete Element Method for Manufacturing Process Simulation in the Pharmaceutical Industry
journal, August 2019