Approaching virtual process engineering with exploring mesoscience

Different disciplines deal with mesoscale problems between the scales of element (micro) and system (macro) in different ways. Usually, coarse-graining or statistical approaches, which are averaging approaches, are used. However, averaging approaches tend to lack or ignore the governing principles ruling phenomena at mesoscales between elements and systems. Mesoscience will enable us to explore the principles common to all mesoscales to correlate parameters between micro- and macroscales.

[1]  Jinghai Li,et al.  Multiscale simulations of protein folding: application to formation of secondary structures , 2013, Journal of biomolecular structure & dynamics.

[2]  Stefan Heinrich,et al.  CPFD simulation of circulating fluidized bed risers , 2013 .

[3]  Huilin Lu,et al.  Simulation of the Chemical Looping Reforming Process in the Fuel Reactor with a Bubble-Based Energy Minimization Multiscale Model , 2013 .

[4]  Ronald W. Breault,et al.  Computation of gas and solid dispersion coefficients in turbulent risers and bubbling beds , 2007 .

[5]  William J. Koves,et al.  Kinetic theory based CFD simulation of turbulent fluidization of FCC particles in a riser , 2006 .

[6]  W. Deen Analysis Of Transport Phenomena , 1998 .

[7]  B. Hou,et al.  Relationship between flow structure and transfer coefficients in fast fluidized beds , 2010 .

[8]  Wei Ge,et al.  Lattice Boltzmann based discrete simulation for gas-solid fluidization , 2013, 1303.2653.

[9]  Shanwei Hu,et al.  Steady-state modeling of axial heterogeneity in CFB risers based on one-dimensional EMMS model , 2013 .

[10]  Wei Wang,et al.  Acceleration of CFD simulation of gas-solid flow by coupling macro-/meso-scale EMMS model , 2011 .

[11]  Wei Ge,et al.  Meso-scale phenomena from compromise -- a common challenge, not only for chemical engineering , 2009 .

[12]  Jinghai Li From Customized Multiscale Modeling to General Mesoscience - The principle of compromise , 2013 .

[13]  Joachim Werther,et al.  CFD-simulation of a circulating fluidized bed riser , 2009 .

[14]  Guodong Liu,et al.  CFD studies of dual circulating fluidized bed reactors for chemical looping combustion processes , 2014 .

[15]  Jinghai Li,et al.  Multiscale nature of complex fluid-particle systems , 2001 .

[16]  Pengfei Xu,et al.  Simulation of flow behavior of particles by cluster structure-dependent drag coefficient model for chemical looping combustion process: Air reactor modeling , 2012 .

[17]  Jinghai Li,et al.  Exploring complex systems in chemical engineering - the multi-scale methodology , 2003 .

[18]  Qingshan Zhu,et al.  Relationship between flow structure and mass transfer in fast fluidized bed , 2010 .

[19]  Panagiotis Grammelis,et al.  High-resolution 3-D full-loop simulation of a CFB carbonator cold model , 2013 .

[20]  Stefan Pirker,et al.  Filtered and heterogeneity‐based subgrid modifications for gas–solid drag and solid stresses in bubbling fluidized beds , 2014 .

[21]  Jinghai Li,et al.  Eulerian simulation of gas-solid flows with particles of Geldart groups A, B and D using EMMS-based meso-scale model , 2011 .

[22]  Panagiotis Grammelis,et al.  Numerical investigation of the grid spatial resolution and the anisotropic character of EMMS in CFB multiphase flow , 2011 .

[23]  Wei Ge,et al.  A simple variational criterion for turbulent flow in pipe , 1999 .

[24]  Pornpote Piumsomboon,et al.  Computation of the mass transfer coefficient of FCC particles in a thin bubbling fluidized bed using two- and three-dimensional CFD simulations , 2011 .

[25]  Wei Ge,et al.  Explorations on the multi-scale flow structure and stability condition in bubble columns , 2007 .

[26]  Wei Ge,et al.  Modeling of Regime Transition in Bubble Columns with Stability Condition , 2009 .

[27]  Jinghai Li,et al.  Physical mapping of fluidization regimes—the EMMS approach , 2002 .

[28]  Jean-Claude Charpentier,et al.  In the frame of globalization and sustainability, process intensification, a path to the future of chemical and process engineering (molecules into money) , 2007 .

[29]  Jinghai Li,et al.  Harnessing the Power of Virtual Reality , 2012 .

[30]  Wei Ge,et al.  Petascale molecular dynamics simulation of crystalline silicon on Tianhe-1A , 2013, Int. J. High Perform. Comput. Appl..

[31]  Jinghai Li,et al.  Choking and flow regime transitions: Simulation by a multi-scale CFD approach , 2007 .

[32]  Jinghai Li,et al.  Multi-scale analysis of gas-liquid interaction and CFD simulation of gas-liquid flow in bubble columns , 2011 .

[33]  Jinghai Li,et al.  Extending EMMS-based models to CFB boiler applications , 2012 .

[34]  Wei Ge,et al.  Choosing structure-dependent drag coefficient in modeling gas-solid two-phase flow , 2003 .

[35]  Quan Zhou,et al.  CFD study of mixing and segregation in CFB risers: Extension of EMMS drag model to binary gas–solid flow , 2015 .

[36]  Ali Elkamel,et al.  The impacts of standard wall function and drag model on the turbulent modelling of gas–particle flow in a circulating fluidised bed riser , 2013 .

[37]  Wei Wang,et al.  Multi-scale CFD simulation of operating diagram for gas–solid risers , 2008 .

[38]  Phillip R. Westmoreland,et al.  Opportunities and challenges for a Golden Age of chemical engineering , 2014, Frontiers of Chemical Science and Engineering.

[39]  Junwu Wang,et al.  EMMS-based Eulerian simulation on the hydrodynamics of a bubbling fluidized bed with FCC particles , 2010 .

[40]  John Horgan,et al.  From Complexity to Perplexity , 1995 .

[41]  Tony Hey,et al.  The Fourth Paradigm: Data-Intensive Scientific Discovery , 2009 .

[42]  Jinghai Li,et al.  Compromise and resolution - Exploring the multi-scale nature of gas-solid fluidization , 2000 .

[43]  Wei Ge,et al.  Focusing on the meso-scales of multi-scale phenomena-In search for a new paradigm in chemical engineering , 2010 .

[44]  Quan Zhou,et al.  Coarse grid simulation of heterogeneous gas–solid flow in a CFB riser with EMMS drag model: Effect of inputting drag correlations , 2014 .

[45]  Wei Wang,et al.  Structure-dependent multi-fluid model for mass transfer and reactions in gas–solid fluidized beds , 2015 .

[46]  Xuezhi Wu,et al.  CFD simulation of smooth and T-abrupt exits in circulating fluidized bed risers , 2010 .

[47]  Abdallah S. Berrouk,et al.  Numerical simulation of hydrodynamics and cracking reactions in the feed mixing zone of a multiregime gas-solid riser reactor , 2011 .

[48]  Jinghai Li,et al.  Dominant Role of Compromise between Diffusion and Reaction in the Formation of Snow-Shaped Vaterite , 2013 .

[49]  Jing Lei,et al.  A revised drag force model and the application for the gas-solid flow in the high-density circulating fluidized bed , 2011 .

[50]  Wei Ge,et al.  Molecular dynamics simulation of complex multiphase flow on a computer cluster with GPUs , 2009 .

[51]  Zhao Yinfeng,et al.  3D Numerical Simulation of a Large Scale MTO Fluidized Bed Reactor , 2013 .

[52]  Wei Ge,et al.  Meso-scale oriented simulation towards virtual process engineering (VPE)-The EMMS Paradigm , 2011 .

[53]  You Changfu,et al.  THEORETICAL MODEL OF DRAG BETWEEN GAS AND SOLID PHASE , 2003 .

[54]  Junwu Wang,et al.  Flow structures inside a large-scale turbulent fluidized bed of FCC particles: Eulerian simulation with an EMMS-based sub-grid scale model , 2010 .

[55]  Jinghai Li,et al.  A multiscale mass transfer model for gas-solid riser flows: Part 1 - Sub-grid model and simple tests , 2008 .

[56]  Ying Hu,et al.  Mesoscience: exploring old problems from a new angle , 2014 .

[57]  Panagiotis Grammelis,et al.  An advanced EMMS scheme for the prediction of drag coefficient under a 1.2 MWth CFBC isothermal flow—Part II: Numerical implementation , 2010 .

[58]  Jinghai Li,et al.  Stability-constrained multi-fluid CFD models for gas-liquid flow in bubble columns , 2013 .

[59]  Bartosz A. Grzybowski,et al.  Chemistry in motion : reaction-diffusion systems for micro- and nanotechnology , 2009 .

[60]  Dimitri Gidaspow,et al.  Computation and measurements of mass transfer and dispersion coefficients in fluidized beds , 2010 .

[61]  Wei Ge,et al.  A conceptual model for analyzing the stability condition and regime transition in bubble columns , 2010 .

[62]  Pornpote Piumsomboon,et al.  Kinetic theory based computation of PSRI riser: Part I—Estimate of mass transfer coefficient , 2009 .

[63]  Jinghai Li,et al.  A structure-dependent multi-fluid model (SFM) for heterogeneous gas–solid flow , 2013 .

[64]  Jinghai Li,et al.  An EMMS-based multi-fluid model (EFM) for heterogeneous gas–solid riser flows: Part II. An alternative formulation from dominant mechanisms , 2012 .

[65]  Jinghai Li,et al.  A review of multiscale CFD for gas-solid CFB modeling , 2010 .

[66]  Ji Xu,et al.  Application of the Mole-8.5 supercomputer: Probing the whole influenza virion at the atomic level , 2011 .

[67]  Jinghai Li,et al.  A multiscale mass transfer model for gas-solid riser flows: Part II - Sub-grid simulation of ozone decomposition , 2008 .

[68]  Jinghai Li,et al.  A bubble-based EMMS model for gas-solid bubbling fluidization , 2011 .

[69]  Xinyu Zhou,et al.  Effect of wall boundary condition on CFD simulation of CFB risers , 2013 .

[70]  Wei Ge,et al.  Simulation of heterogeneous structures and analysis of energy consumption in particle–fluid systems with pseudo-particle modeling , 2005 .

[71]  Edward L Cussler,et al.  Chemical product engineering , 2003 .

[72]  Jinghai Li,et al.  Coarse grid simulation of heterogeneous gas–solid flow in a CFB riser with polydisperse particles , 2013 .

[73]  Jinghai Li,et al.  "Generalized Fluidization" Revisited , 2013 .

[74]  Ronald W. Breault,et al.  Computation of turbulence and dispersion of cork in the NETL riser , 2008 .

[75]  Wei Ge,et al.  Analytical multi-scale method for multi-phase complex systems in process engineering—Bridging reductionism and holism , 2007 .

[76]  Wei Ge,et al.  Computational Fluid Dynamics Simulation of Regime Transition in Bubble Columns Incorporating the Dual-Bubble-Size Model , 2009 .

[77]  Jinghai Li,et al.  Unification of EMMS and TFM: structure-dependent analysis of mass, momentum and energy conservation , 2014 .

[78]  Jinghai Li,et al.  3‐D full‐loop simulation of an industrial‐scale circulating fluidized‐bed boiler , 2013 .

[79]  Zheng-Hong Luo,et al.  3D CFD-PBM modeling of the gas–solid flow field in a polydisperse polymerization FBR: The effect of drag model , 2014 .

[80]  Moses O. Tadé,et al.  Simulation of gas–solid flows in riser using energy minimization multiscale model: Effect of cluster diameter correlation , 2011 .

[81]  Wei Wang,et al.  Simulation of gas-solid two-phase flow by a multi-scale CFD approach - Extension of the EMMS model to the sub-grid level , 2007 .

[82]  Wei Wang,et al.  Multi-scale CFD simulation of gas–solid flow in MIP reactors with a structure-dependent drag model , 2007 .

[83]  Stefan Pirker,et al.  A Coarse-Grained Two-Fluid Model for Gas-Solid Fluidized Beds: , 2014 .

[84]  Wei Ge,et al.  Stability-driven Structure Evolution: Exploring the Intrinsic Similarity Between Gas-Solid and Gas-Liquid Systems , 2012 .

[85]  Kai H. Luo,et al.  Two-dimensional and three-dimensional computational studies of hydrodynamics in the transition from bubbling to circulating fluidised bed , 2010 .

[86]  Wei Ge,et al.  Eulerian simulation of heterogeneous gas–solid flows in CFB risers: EMMS-based sub-grid scale model with a revised cluster description , 2008 .

[87]  Wei Ge,et al.  Large-scale DNS of gas-solid flows on Mole-8.5 , 2010, 1011.2613.

[88]  Jinghai Li,et al.  3D CFD simulation of hydrodynamics of a 150 MWe circulating fluidized bed boiler , 2010 .

[89]  Jinghai Li,et al.  Three-dimensional simulation of dense suspension upflow regime in high-density CFB risers with EMMS-based two-fluid model , 2014 .

[90]  Moses O. Tadé,et al.  Verification of EMMS formulation using lattice Boltzmann simulations , 2014 .

[91]  Wang Shuai,et al.  Hydrodynamics of gas-solid risers using cluster structure-dependent drag model , 2014 .

[92]  Wei Ge,et al.  Macro-scale phenomena reproduced in microscopic systems—pseudo-particle modeling of fluidization , 2003 .

[93]  Stefan Pirker,et al.  Comparative analysis of subgrid drag modifications for dense gas‐particle flows in bubbling fluidized beds , 2013 .

[94]  Wei Ge,et al.  Quasi-real-time simulation of rotating drum using discrete element method with parallel GPU computing , 2011 .

[95]  Haiying Qi,et al.  Modeling of drag with the eulerian approach and EMMS theory for heterogeneous dense gas-solid two-phase flow , 2007 .

[96]  Wei Ge,et al.  From Multiscale Modeling to Meso-Science: A Chemical Engineering Perspective , 2013 .

[97]  Wang Shuai,et al.  Modeling of cluster structure-dependent drag with Eulerian approach for circulating fluidized beds , 2011 .

[98]  Moses O. Tadé,et al.  Hydrodynamics of an FCC riser using energy minimization multiscale drag model , 2011 .

[99]  Jinghai Li,et al.  A stability condition for turbulence model: From EMMS model to EMMS-based turbulence model , 2013, 1311.1272.

[100]  Pornpote Piumsomboon,et al.  Two- and three-dimensional CFD modeling of Geldart A particles in a thin bubbling fluidized bed: Comparison of turbulence and dispersion coefficients , 2011 .

[101]  Jinghai Li,et al.  CFD simulation of solids residence time distribution in a CFB riser , 2014 .

[102]  Jinghai Li,et al.  Hydrodynamic Modeling of Gas-Solid Bubbling Fluidization Based on Energy-Minimization Multiscale (EMMS) Theory , 2014 .

[103]  Vivek V. Ranade,et al.  Evaluating EMMS Model for Simulating High Solid Flux Risers , 2007 .

[104]  Haiying Qi,et al.  Modeling of the flue gas desulfurization in a CFB riser using the Eulerian approach with heterogeneous drag coefficient , 2012 .

[105]  Xiaoping Chen,et al.  Two-dimensional computational fluid dynamics simulation of coal combustion in a circulating fluidized bed combustor , 2011 .

[106]  P. Blecha,et al.  The Process Simulation using by Virtual Reality , 2014 .

[107]  Jie Ouyang,et al.  Use of compromise-based local porosities for coarse grid DEM simulation of bubbling fluidized bed with large particles , 2013 .

[108]  Pornpote Piumsomboon,et al.  Kinetic theory based computation of PSRI riser: Part II—Computation of mass transfer coefficient with chemical reaction , 2009 .

[109]  Xiao Yunhan,et al.  Numerical simulation for the loop seal in the circulating fluidized bed and experimental validation , 2013 .

[110]  Jinghai Li,et al.  EMMS-based discrete particle method (EMMS–DPM) for simulation of gas–solid flows , 2014 .

[111]  Wei Ge,et al.  CFD simulation of concurrent-up gas-solid flow in circulating fluidized beds with structure-dependent drag coefficient , 2003 .

[112]  Jinghai Li,et al.  Multi-scale HPC system for multi-scale discrete simulation—Development and application of a supercomputer with 1 Petaflops peak performance in single precision , 2009 .

[113]  Wei Ge,et al.  Simulation of Heterogeneous Structure in a Circulating Fluidized-Bed Riser by Combining the Two-Fluid Model with the EMMS Approach , 2004 .

[114]  Jinghai Li,et al.  Virtual experimentation through 3D full-loop simulation of a circulating fluidized bed , 2008 .

[115]  Jinghai Li,et al.  A multi-scale architecture for multi-scale simulation and its application to gas–solid flows , 2014 .

[116]  Jinghai Li,et al.  On the universality of mesoscience: Science of 'the in-between' , 2013, 1302.5861.

[117]  Sofiane Benyahia On the Effect of Subgrid Drag Closures , 2010 .

[118]  Wei Wang,et al.  An EMMS-based multi-fluid model (EFM) for heterogeneous gas-solid riser flows: Part I. Formulation of structure-dependent conservation equations , 2012 .

[119]  William Hultz Walker,et al.  Principles of chemical engineering , 1923 .

[120]  Wei Wang,et al.  Searching for a mesh-independent sub-grid model for CFD simulation of gas–solid riser flows , 2009 .

[121]  Peter Harriott,et al.  Unit Operations of Chemical Engineering , 2004 .

[122]  Sofiane Benyahia,et al.  Analysis of model parameters affecting the pressure profile in a circulating fluidized bed , 2012 .

[123]  Yunhan Xiao,et al.  Experimental validation of the gas–solid flow in the CFB riser , 2010 .

[124]  Panagiotis Grammelis,et al.  Calcium looping for CO2 capture from a lignite fired power plant , 2013 .

[125]  Jinghai Li,et al.  Evaluation of drag models for cocurrent and countercurrent gas–solid flows , 2013 .

[126]  Wei Ge,et al.  Multi-scale methodology for complex systems , 2004 .

[127]  Dimitri Gidaspow,et al.  Measurements and computation of low mass transfer coefficients for FCC particles with ozone decomposition reaction , 2012 .

[128]  Wang Shuai,et al.  A cluster structure-dependent drag coefficient model applied to risers , 2012 .

[129]  Wei Wang,et al.  MP-PIC simulation of CFB riser with EMMS-based drag model , 2012 .

[130]  Xuezhi Wu,et al.  Numerical simulation and experimental validation of gas-solid flow in the riser of a dense fluidized bed reactor , 2009 .

[131]  Xiaoping Chen,et al.  Two-dimensional computational fluid dynamics simulation of nitrogen and sulfur oxides emissions in a circulating fluidized bed combustor , 2011 .