A GPU-based parallelized Monte-Carlo method for particle coagulation using an acceptance–rejection strategy

Abstract A graphics processing unit (GPU)-based Monte Carlo (MC) algorithm for particle coagulation using an acceptance–rejection (AR) strategy leading to improved computing efficiency has been developed and validated. The use of GPUs in high-performance computing is attractive due to the low cost per core, currently some 1–2 EUR. The GPU-implementation developed takes full advantage of the intrinsic parallel property featured by the AR strategy, namely, multiple AR attempts are carried out independently on many threads simultaneously. It uses an efficient way to obtain an estimation for the maximum coagulation kernel from the mean kernel. The method has been benchmarked by a sectional method validating its computing accuracy. Especially when a large number of cells is being handled at the same time, remarkable speed-up factors are achieved. This makes the method, a choice when population balances have to be solved in a CFD environment, which is demonstrated by means of a case study describing simultaneous coagulation, nucleation and diffusion in 1D. In summary, the simulations show that a MC method for particle coagulation based on the AR strategy can be efficiently parallelized on a GPU.

[1]  Chuguang Zheng,et al.  A differentially weighted Monte Carlo method for two-component coagulation , 2010, J. Comput. Phys..

[2]  Mansoo Choi,et al.  A sectional method for the analysis of growth of polydisperse non-spherical particles undergoing coagulation and coalescence , 2001 .

[3]  Sotiris E. Pratsinis,et al.  A discrete-sectional model for particulate production by gas-phase chemical reaction and aerosol coagulation in the free-molecular regime , 1990 .

[4]  Manfred Krafczyk,et al.  TeraFLOP computing on a desktop PC with GPUs for 3D CFD , 2008 .

[5]  Chuguang Zheng,et al.  Correcting the multi-Monte Carlo method for particle coagulation , 2009 .

[6]  Chuguang Zheng,et al.  Multi-Monte Carlo method for coagulation and condensation/evaporation in dispersed systems. , 2005, Journal of colloid and interface science.

[7]  P. Biswas,et al.  A method of moments based CFD model for polydisperse aerosol flows with strong interphase mass and heat transfer , 2006 .

[8]  Kurt Liffman,et al.  A direct simulation Monte-Carlo method for cluster coagulation , 1992 .

[9]  Kenichi Nanbu,et al.  Direct simulation scheme derived from the Boltzmann equation. I - Monocomponent gases. II - Multicom , 1980 .

[10]  Chuguang Zheng,et al.  Reducing Statistical Noise and Extending the Size Spectrum by Applying Weighted Simulation Particles in Monte Carlo Simulation of Coagulation , 2009 .

[11]  Pratim Biswas,et al.  Study of Numerical Diffusion in a Discrete-Sectional Model and Its Application to Aerosol Dynamics Simulation , 1998 .

[12]  S. Friedlander,et al.  Smoke, Dust and Haze: Fundamentals of Aerosol Behavior , 1977 .

[13]  Zhao Haibo,et al.  Multi-Monte Carlo approach for general dynamic equation considering simultaneous particle coagulation and breakage , 2005 .

[14]  C. Housiadas,et al.  Sectional Modeling of Aerosol Dynamics in Multi-Dimensional Flows , 2007 .

[15]  F. Einar Kruis,et al.  Computational fluid dynamics based stochastic aerosol modeling: Combination of a cell-based weighted random walk method and a constant-number Monte-Carlo method for aerosol dynamics , 2012 .

[16]  R. McGraw,et al.  Method of Moments Solutions for a Laminar Flow Aerosol Reactor Model , 2001 .

[17]  Kangtaek Lee,et al.  Simultaneous coagulation and break-up using constant-N Monte Carlo , 2000 .

[18]  F. Einar Kruis,et al.  Direct simulation Monte Carlo for simultaneous nucleation, coagulation, and surface growth in dispersed systems , 2004 .

[19]  Themis Matsoukas,et al.  Constant-number Monte Carlo simulation of population balances , 1998 .

[20]  Y. Efendiev,et al.  Hybrid monte carlo method for simulation of two-component aerosol coagulation and phase segregation. , 2002, Journal of colloid and interface science.

[21]  Alejandro L. Garcia,et al.  A Monte Carlo simulation of coagulation , 1987 .

[22]  Kikuo Okuyama,et al.  Alternative analytical solution to condensational growth of polydisperse aerosols in the continuum regime , 2001 .

[23]  F. Kruis,et al.  Monte Carlo Simulation for Aggregative Mixing of Nanoparticles in Two-Component Systems , 2011 .

[24]  Shih-Yuan Lu Collision integrals of discrete‐sectional model in simulating powder production , 1994 .

[25]  J. Wei,et al.  GPU-accelerated Monte Carlo simulation of particle coagulation based on the inverse method , 2013, J. Comput. Phys..

[26]  Doraiswami Ramkrishna,et al.  Population Balances: Theory and Applications to Particulate Systems in Engineering , 2000 .

[27]  Doraiswami Ramkrishna,et al.  Simulation of particulate systems using the concept of the interval of quiescence , 1977 .

[28]  Róbert Mészáros,et al.  Air pollution modelling using a Graphics Processing Unit with CUDA , 2010, Comput. Phys. Commun..

[29]  F. Einar Kruis,et al.  Direct simulation Monte Carlo method for particle coagulation and aggregation , 2000 .

[30]  Chuguang Zheng,et al.  A new event-driven constant-volume method for solution of the time evolution of particle size distribution , 2009, J. Comput. Phys..

[31]  Jianzhong Lin,et al.  A New Moment Method for Solving the Coagulation Equation for Particles in Brownian Motion , 2008 .

[32]  Chuguang Zheng,et al.  A population balance-Monte Carlo method for particle coagulation in spatially inhomogeneous systems , 2013 .

[33]  Chuguang Zheng,et al.  Two-component Brownian coagulation: Monte Carlo simulation and process characterization , 2011 .

[34]  F. S. Lai,et al.  The self-preserving particle size distribution for Brownian coagulation in the free-molecule regime , 1972 .

[35]  Toivo T. Kodas,et al.  Aerosol Processing of Materials , 1998 .