A Multi-scale Simulation-Based Design Platform for Cost-Effective CO2 Capture Processes using Nano-Structured Materials (NanoSim - EU project)

Publications

Contribution to conference (meeting, congress, workshop) proceedings

  1. J.H. Cloete, S. Cloete, F. Municchi, S. Radl, S. Amini, The sensitivity of filtered Two Fluid Models to the underlying resolved simulation setup, Fluidization XV, 2016
  2. J.H. Cloete, A. Zaabout, S. Cloete, S. Radl, S. Amini, Evaluation of the minimum fluidization velocity at elevated temperature and pressure through experiments and modelling, Fluidization XV, 2016
  3. Stefan Radl,"Probing Heterogeneities in Fluid-Particle Systems with the Computer" In: Proceedings of 1st User meeting and workshop for LIGGGHTS® | CFDEM®coupling | ParScale, 14.-15. March 2016 - Linz, Austria
  4. Christoph Goniva, Christoph Kloss: "LIGGGHTS and CFDEMcoupling: recent advances, remaining challenges and road map", In: Proceedings of 1st User meeting and workshop for LIGGGHTS® | CFDEM®coupling | ParScale, 14.-15. March 2016 - Linz, Austria
  5. Federico Municchi, Bruno Blais, Christoph Goniva, Stefan Radl: "Hybrid Fictitious Domain - Immersed Boundary Method for the Direct Simulation of Heat and Mass Transport in Fluid-Particle Systems", In: Proceedings of 1st User meeting and workshop for LIGGGHTS® | CFDEM®coupling | ParScale, 14.-15. March 2016 - Linz, Austria
  6. Forgber, T.; Tolchard, J.; Zaabout, A.; Dahl, P. I.; Radl, S.: Optimal Particle Parameters for CLC and CLR Processes - Predictions by Intra-Particle Transport Models and Experimental Validation. - in: IV International Conference on Particle-based Methods (2015) In Press; 2015
  7. Radl, S.; Forgber, T.; Aigner, A.; Kloss, C.: ParScale - an Open-Source Library for the Simulation of Intra-Particle Heat and Mass Transport Processes in Coupled Simulations. - in: IV International Conference on Particle-based Methods. (2015) In Press; 2015
  8. CFD-DEM predictions of heat transfer in packed beds using commercial and open source codes, Arpit Singhal, Schalk Cloete, Federico Municchi, Stefan Radl and Shahriar Amini - in: IV International Conference on Particle-based Methods. (2015) In Press; 2015
  9. Goniva, C., Pirker, S. & Kloss, C. (2014): Open Source CFD-DEM and DEM Simulation Technology – an application driven development. Talk at the 1st Austrian Partikelforum, Vienna
  10. Christoph Kloss (2014) , Open source DEM and CFD-DEM: A variety of applications across industries and fields of science, WCPT7, Beijing, 2014
  11. T. Hagelien, S. Radl, C. Kloss, C. Goniva, P.I. Dahl, S. M. Nazir, P.Fede, S. Amini - Porto: A framework for information interchange and multi-scale fluid mechanics simulations, 3rd EUMMC Workshop, Jyäskylä, Finland, 2015
  12. S. Mohd Nazir, S. Cloete, S. Amini, O. Bolland (2015): Thermodynamic Analysis of Reforming Processes, 8th Trondheim Conference on CO2 Capture, Transport and Storage (TCCS8), 16-18th June 2015.
  13. Radl, S.; Krainer, F.; Puffitsch, T.; Kloss, C.: Biot Number Effects on the Local Heat and Mass Transfer Rate in Fixed and Fluidized Beds. - in: 2015 AIChE Annual Meeting. Salt Lake City am: 08.11.2015
  14. Gruber-Wölfler, H.; Pichler, R.; Radl, S.: Effect of Particle Swelling on the Effective Reaction Rate in a Fixed Bed Reactor. - in: 2015 AIChE Annual Meeting. Salt Lake City am: 08.11.2015
  15. Municchi, Federico; Radl, Stefan; Goniva, Christoph: Near-wall effects for momentum, heat and mass transport in gas-particle suspensions at moderate Reynolds numbers. Proceedings of the APS DFD 2016. 
  16. Kloss, C., Goniva, C. / LIGGGHTS® and CFDEM®coupling: Recent advances, remaining challenges and roadmap. Keynote lecture at 1st CFDEM®project user meeting & workshop, 14-15 March 2016, Linz, Austria
  17. Kloss, C., Aigner, A., Kerbl, J., Goniva, C. / Simulation of particulate systems: Recent advances and remaining challenges. Keynote lecture at The 7th International Conference on Discrete Element Methods, August 1 to August 4, 2016, Dalian, China
  18. Kloss, C., Goniva, C. / LIGGGHTS® and CFDEM®coupling: Recent advances, remaining challenges and roadmap. Keynote lecture at 1st CFDEM®project user meeting & workshop, 14-15 March 2016, Linz, Austria
  19. Z.X. Guo, S.A. Shevlin, S. Gadipelli and X.Y. Han, / Multifunctional Nanostructures for Energy and Environment. Keynote Presentation at China-UK High Level Cooperation and Advanced Materials Forum, Chinese State Council Overseas Bureau, Chengdu, 13-15 Sept. 2016.
  20. Goniva, C., Stoltz, C., Kloss, C., / Open-Source DEM and CFD-DEM Simulations in an HPC Environment. Keynote lecture at PRACE Autumn School 2016 Workshop, 27-30 September 2016, Hagenberg im Mühlkreis, Austria
  21. Z.X. Guo and S.A. Shevlin / Multiscale Modelling for Energy Materials – a Problem Focussed Approach. Invited Presentation at Functional Energy Materials 2016 - ZING Conferences / Applied Physics Letters, Dubrovnik, Croatia, 28 Sept – 1 Oct 2016.
  22. Solène Chevrier, Pascal Fede and Olivier Simonin / Development of Filtered Particulate Eulerian Modeling Approach for the Prediction of Bi-Disperse Gas-Solid Fluidized Bed, AIChe Annual Meeting, November 13-18, San Francisco, 2016
  23. Shareq Mohd Nazir, Olav Bolland, Shahriar Amini / Full Plant Scale Analysis of Natural Gas Fired Power Plants with Pre-Combustion CO2 Capture and Chemical Looping Reforming (CLR). Greenhouse Gas Technologies Conference (GHGT-13), 14-18th November 2016, Lausanne, Switzerland
  24. Shareq Mohd Nazir, Olav Bolland, Shahriar Amini / Process Integration and Improvement of Combined Cycle Power Plant with Hydrogen Fuel Produced Using Chemical Looping Reforming and CO2 Capture
    4th Trondheim Gas Technology Conference, 5th December 2016, Trondheim, Norway
  25. Chevrier, S.; Fede, P. & Simonin, O. / Numerical simulation of a periodic circulating fluidized bed of binary mixture of particles: Budget analysis
    9th International Conference on Multiphase Flow, ICMF 2016, Firenze, Italia, 2016
  26. Singhal, Arpit; Cloete, Schalk; Radl, Stefan; Amini, Shahriar / Multiscale modelling of heat transfer from arrays of spherical particles.
    2016. Paper presented at 9th International Conference on Multiphase Flows (2016), Florence, Italy
  27. Municchi, Federico; Radl, Stefan; Goniva, Christoph / Development of closure models for unresolved particle simulations of heat and mass transfer in dense particle beds using CPPPO: a library for fast parallel data filtering. 2016. Paper presented at 9th International Conference on Multiphase Flows (2016), Florence, Italy.
  28. Municchi, Federico; Radl, Stefan / Fictitious Domain and Immersed Boundary methods in OpenFOAM: Application to Complex Geometries.
    2016. PFAU XIII: OpenFOAM user meeting, Vienna, Austria.
  29. Joana F. Morgado, Schalk Cloete, John Morud, Thomas Gurker, Rosa M. Quinta-Ferreira and Shahriar Amini. 1D modelling of membrane-assisted chemical looping reforming. (Abstract and Presentation) ICEER 2017 Porto, 2017
  30. Joana F. Morgado, Schalk Cloete, John Morud, Thomas Gurker, and Shahriar Amini, Modelling study of two chemical looping reforming reactor configurations: Looping vs. switching, Fluidization XV (Abstract and Presentation) Fluidization XV, 2016
  31. Shareq Mohd Nazir, Joana Francisco Morgado, Olav Bolland, Shahriar Amini. "Model linking approach for process analysis of second generation CCS processes", 9th Trondheim Conference on CO2 Capture, Transport and Storage TCCS-9, Trondheim, Norway, 12 – 14th June 2017
  32. Shareq Mohd Nazir, Olav Bolland, Shahriar Amini (2016). "Process Integration and Improvement of Combined Cycle Power Plant with Hydrogen Fuel Produced Using Chemical Looping Reforming and CO2 Capture." 4th Trondheim Gas Technology Conference, 5th December, Trondheim, Norway
  33. Shareq Mohd Nazir, Olav Bolland, Shahriar Amini (2016). "Full Plant Scale Analysis of Natural Gas Fired Power Plants with Pre-Combustion CO2 Capture and Chemical Looping Reforming (CLR)." Greenhouse Gas Technologies Conference (GHGT-13), 14-18th November 2016, Lausanne, Switzerland.
  34. Shareq Mohd Nazir, Schalk Cloete, Shahriar Amini, Olav Bolland, "Thermodynamic Analysis of Reforming Processes", 8th Trondheim Conference on CO2 Capture, Transport and Storage TCCS-8, Trondheim, Norway, 16 – 18th June 2015
  35. Stefan Andersson, NanoSim: A Multi-scale Simulation Based Design Platform for Cost-Effective CO2 Capture Processes using Nano-Structured Materials, Workshop on Modelling on Materials for Energy Devices, University College London, UK, 17 June 2015.
  36. Jesper Friis, Shevlin Stephen, Ingeborg-Helene Svenum, Stefan Andersson, Thomas Fjæstad Hagelien, Shahriar Amini, Multi-scale modelling using the Porto platform, CECAM workshop on Multiscale Simulation: from Materials through to Industrial Usage, Dublin, Ireland, 4 – 6 September 2017.
  37. Stefan Andersson, Synthesis and modelling of materials for chemical looping reforming, European Advanced Materials Congress, Stockholm, Sweden, 22 – 24 August 2017.
  38. Municchi, F., & Radl, S. (2017). Filtered Two-Fluid Model for Gas-Particle Suspension flow. Open Source CFD Workshop, Linz, Austria. https://www.researchgate.net/publication/319954258_Filtered_Two-Fluid_Model_for_Gas-Particle_Suspension_flow
  39. Radl, S. (2017). Closures for Meso-scale Models of Dense Suspensions - The Euler-Lagrange Perspective. CFDEM Conference 2017, Linz, Austria.
  40. Municchi, F., & Radl, S. (2017). Arbitrary Order Boundary Reconstruction Algorithm for Robin Boundary Conditions in Particle-Resolved Direct Numerical Simulations. V International Conference on Particle-Based Methods, Hannover, Germany.
  41. Redlinger-Pohn, J. D., Municchi, F., & Radl, S. (2017). Separation by Design: Towards Simulation Guided Engineering of Coiled Channels for Precise Particle Separation. AIChE Annual Meeting 2017, Minneapolis, United States.
  42. Municchi, F., & Radl, S. (2017). Closures for discrete suspension flow models: new insight from particle-resolved simulations and spatial data filtering. International Conference on Numerical Methods in Multiphase Flows III, Tokyo, Japan.
  43. Singhal, A., Cloete, S., Radl, S., Ferreira, R. Q., & Amini, S. (2017). Comparison of Particle-Resolved Direct Numerical Simulation and 1D Modelling of Catalytic Reactions in a Packed Bed. In 12th International Conference on CFD in the Oil & Gas, Metallurgical and Process Industries (CFD2017) (pp. 1-8)
  44. Cloete, J. H., Cloete, S., Radl, S., & Amini, S. (2017). Verification of filtered Two Fluid Models for reactive gas-solid flows. In 12th International Conference on CFD in the Oil & Gas, Metallurgical and Process Industries (CFD2017) (pp. 1-8).
  45. Cloete, J. H., Cloete, S., Radl, S., & Amini, S. (2017). Verification of filtered Two-Fluid Models in different flow regimes. In 12th International Conference on Fluidized Bed Technology (CFB-12) (pp. 1-8). Krakow, Poland: AGH University of Science and Technology.
  46. Radl, S. & Marschall, H. (2017). Mathematical Modeling and Simulation. In: Roadmap Chemical Reaction Engineering
  47. Askarishahi, M., Salehi, M., & Radl, S. (2017). Voidage Correction Algorithms for Improved Heat and Mass Transfer Predictions in Unresolved Particle Simulations. 2017 AIChE annual Meeting, Minneapolis, United States.

     

Lecture or presentation

  1. P. Fede, L. Bennani, H. Neau, C. Baudry, J. Lavieville, Z. Hamidouche, E. Masi, O. Simonin. High parallel computing of reactive particulate flows in complex geometries
  2. Radl, S.; Municchi, F.; Forgber, T.: Perspectives for Modeling Reactive Particulate Systems using Open-Source Tools. - in: 2nd Austrian Particle Forum. BOKU Vienna am: 15.04.2015
  3. Forgber, T.; Radl, S.; Kloss, C. .: Towards resolved intra particle temperature predictions in coupled simulations. - in: PFAU 9.0. Linz am: 03.11.2014
  4. Open Source CFD-DEM Modelling for Particle-Based Processes, Christoph Goniva*, Bruno Blais † and Christoph Kloss *, CFD 2015 Melbourne
  5. Application-Driven Development of CFD-DEM Modelling for Particle-Based Processes (2015) Christoph Goniva*, Bruno Blais † and Christoph Kloss, Int. Conference on Particle-based Methods, Barcelona 2015
  6. Application-Driven Development of Discrete Element Method Modelling for Reactive Particle-Based Processes (2015), Christoph Kloss*, Stefan Radl † and Christoph Goniva*, Int. Conference on Particle-based Methods, Barcelona 2015
  7. Andersson, S., Multiscale modelling for CO2 capture processes, AMPEA Workshop on Modelling and Characterisation of Materials for Energy Processes, University College London, UK, 17.06.2015
  8. Radl, S.; Forgber, T.; Municchi, F.: ParScale: A Key Tool for Simulating Reactive Particulate Flow Systems. - in: Seminar of the Institute for Chemical Technology and Polymer Chemistry (Karlsruhe Institute of Technology). Karlsruhe am: 20.11.2015
  9. Radl, S.; Redlinger-Pohn, J. D.; König, L. M.; Wu, M.; Forgber, T.; Municchi, F.: Simulation of Particulate Systems in the Pulp & Paper and Energy Sector: Challenges and Trends. - in: Eco World CFD Workshop. Graz am: 19.11.2015
  10. Radl, S.; Forgber, T.: Regimes of Heat Transport in Dense Particle Beds. - in: PFAU XI Meeting. Leoben am: 26.11.2015
  11. Forgber, Thomas; Municchi, Federico; Puffitsch, Thomas; Radl, Stefan / Intra- and Inter-Particle Resolved Simulations and Experiments on Thermal Transport in Confined Particle Beds. 2016. Poster session presented at AIChE Annual Meeting 2016, San Francisco, United States (Poster)
  12. Municchi, Federico; Askarishahi, Maryam; Salehi, Mohammadsadegh; Goniva, Christoph; Radl, Stefan / On the Relevance of Closure Laws for Momentum, Heat and Mass Transfer in Gas-Particle Suspensions.
    2016. AIChE Annual Meeting 2016, San Francisco, United States.
  13. Forgber, Thomas; Radl, Stefan / Thermal Fluxes in Wall Bounded Sheared Granular Beds Near the Jamming Point. AIChE Annual Meeting 2016, San Francisco, United States.
  14. Forgber, Thomas; Radl, Stefan / Revisiting Thermal Flux in Sheared Beds.
    2016. PFAU XII, Linz, Austria.
  15. Municchi, Federico; Radl, Stefan; Goniva, Christoph / Fast spatial filtering using CPPPO: a compilation for particle-fluid data post processing.
    2016. Austrian HPC meeting, Austria.

Journal papers submitted

  1. J.H. Cloete, S. Cloete, S. Radl, S. Amini, Evaluation of wall friction models for riser flow, Powder Technology, (2016 (submitted)).
  2. J.H. Cloete, S. Cloete, F. Municchi, S. Radl, S. Amini, The sensitivity of filtered Two Fluid Models to the underlying resolved simulation setup, Powder Technology, (2016 (submitted)).
  3. W. Luo, C. Jiang, Y. Li, S. A. Shevlin, X. Han, K. Qiu, Y. Cheng, Z. X. Guo, W. Huang, and J. Tang / An Efficient and Stable Crystallized α-FeOOH Electrocatalyst for Oxygen Evolution Reaction, Submitted to J. Mat. Chem. A (2016)
  4. Shareq Mohd Nazir, Olav Bolland, Shahriar Amini / Full Plant Scale Analysis of Natural Gas Fired Power Plants with Pre-Combustion CO2 Capture and Chemical Looping Reforming (CLR). Energy Procedia 2016
  5. Singhal, Arpit; Cloete, Schalk; Radl, Stefan; Ferreira, Rosa Quinta; Amini, Shahriar / CFD-DEM predictions of heat transfer in packed beds using commercial and open source codes. MAYFEB Journal of Chemical Engineering, Vol. 1, No. 1, 12.09.2016, p. 1-17.
  6. Cloete, Jan Hendrik ; Cloete, Schalk; Radl, Stefan; Amini, Shahriar / Evaluation of wall friction models for riser flow. In: Powder technology, Vol. 303, 2016, p. 156-167.
  7. Municchi, Federico; Goniva, Christoph; Radl, Stefan / Highly efficient spatial data filtering in parallel using the opensource library CPPPO.
    In: Computer physics communications, Vol. 207, 26.05.2016, p. 400–414.
  8. Joana F. Morgado, Schalk Cloete, John Morud, Thomas Gurker, Rosa M. Quinta-Ferreira and Shahriar Amini (2017). 1D modelling of membrane-assisted chemical looping reforming. Energy Procedia, 136, 277-282
  9. Joana F. Morgado, Schalk Cloete, John Morud, Thomas Gurker and Shahriar Amini (2017). Modelling study of two chemical looping reforming reactor configurations: looping vs. switching. Powder Technology, 316, 599-613
  10. Nazir, S.M., O. Bolland, and S. Amini, Full Plant Scale Analysis of Natural Gas Fired Power Plants with Pre-Combustion CO2 Capture and Chemical Looping Reforming (CLR). Energy Procedia, 2017. 114: p. 2146-2155.
  11. Wenjun Luo, Chaoran Jiang, Yaomin Li, Stephen A. Shevlin, Xiaoyu Han, Kaipei Qiu, Yingchun Cheng, Zhengxiao Guo, Wei Huang, Junwang Tang, Highly crystallized α-FeOOH for a stable and efficient oxygen evolution reaction, J. Mater. Chem. A, 2017, 5, 2021 – 2028.
  12. Stefan Andersson, Paul Inge Dahl, Stephen A. Shevlin, Ingeborg-Helene Svenum, Yngve Larring, Julian R. Tolchard, Z. Xiao Guo, Synthesis and modelling of nanoparticles for chemical looping reforming, Adv. Mater. Lett., in press
  13. Forgber, T., & Radl, S. (2018). A novel Approach to Calculate Radiative Thermal Exchange in Coupled Particle Simulations. Powder technology 323: 24-44.
  14. Singhal, A., Cloete, S., Radl, S., Ferreira, R. Q., & Amini, S. (2017). Heat transfer to a gas from densely packed beds of cylindrical particles. Chemical engineering science, 172, 1–12. DOI: 10.1016/j.ces.2017.06.003
  15. Radl, S. (2017). Micro- and Mesoscopic Models for Flow and Mixing of Suspensions. Habilitation Thesis, TU Graz,
  16. Singhal, A., Cloete, S., Radl, S., Ferreira, R. Q., & Amini, S. (2017). Heat transfer to a gas from densely packed beds of monodisperse spherical particles. Chemical engineering journal, 314, 27-37.
  17. Municchi, F., & Radl, S. (2017). Consistent closures for Euler-Lagrange models of bi-disperse gas-particle suspensions derived from particle-resolved direct numerical simulations. International journal of heat and mass transfer, 111, 171-190.
  18. Forgber, T., & Radl, S. (2017). Heat Transfer Rates in Wall Bounded Shear Flows near the Jamming Point accompanied by Fluid-Particle Heat Exchange. Powder technology, 315, 182-193.
  19. Askarishahi, M., Salehi, M., & Radl, S. (2017). Full-Physics Simulations of Spray-Particle Interaction in a Bubbling Fluidized Bed. AIChE journal, 63(7), 2569–2587.
  20. Salehi, M., Askarishahi, M., & Radl, S. (2017). Analytical Solution for Thermal Transport in Packed Beds with Volumetric Heat Source. Chemical engineering journal, 316, 131-136.
  21. Forgber, T., Mohan, B., Kloss, C., & Radl, S. (2017). Heat transfer rates in sheared beds of inertial particles at high Biot numbers. Granular matter, 19(14).
  22. Cloete, J. H., Cloete, S., Municchi, F., Radl, S., & Amini, S. (2017). The sensitivity of filtered Two Fluid Models to the underlying resolved simulation setup. Powder technology, 316, 265–277.
  23. 16. Ozel, A., Kolehmainen, J., Radl, S., & Sundaresan, S. (2016). Fluid and Particle Coarsening of Drag Force for Discrete-Parcel Approach. Chemical engineering science, 155, 258–267.

Published August 31, 2015

This project has received funding from the European Union's FP7-NMP research and innovation programme under grant agreement no 604656