Entropic lattice Boltzmann method for crystallization processes

A lattice Boltzmann method (LBM) is introduced for accurate simulation of crystallization processes modelled using one-dimensional population balance equations (PBEs) with growth and nucleation phenomena. LBM for PBEs with size independent growth is developed by identifying their similarity with the advection equation. To obtain an efficient method for PBEs with size dependent growth, a coordinate transformation scheme is introduced, which can handle processes with size independent and size dependent growth rates in the same framework. The performance of the proposed scheme is verified using benchmark examples drawn from literature, which shows that LBM provides at least the same level of accuracy, while requiring lower computation time than the well-established high resolution finite volume method.

[1]  D. Ramkrishna,et al.  On the solution of population balance equations by discretization—II. A moving pivot technique , 1996 .

[2]  I. Karlin,et al.  Stabilization of the lattice boltzmann method by the H theorem: A numerical test , 2000, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[3]  D. L. Ma,et al.  High-Resolution Simulation of Multidimensional Crystal Growth , 2002 .

[4]  Daniele Marchisio,et al.  Solution of population balance equations using the direct quadrature method of moments , 2005 .

[5]  Shamsul Qamar,et al.  A comparative study of high resolution schemes for solving population balances in crystallization , 2006, Comput. Chem. Eng..

[6]  H. C. Ottinger,et al.  Minimal entropic kinetic models for hydrodynamics , 2002, cond-mat/0205510.

[7]  Iliya V. Karlin,et al.  Elements of the lattice Boltzmann method I: Linear advection equation , 2006 .

[8]  S. Katz,et al.  Some problems in particle technology: A statistical mechanical formulation , 1964 .

[9]  S. Orszag,et al.  Extended Boltzmann Kinetic Equation for Turbulent Flows , 2003, Science.

[10]  V. Alopaeus,et al.  Solution of population balances with growth and nucleation by high order moment-conserving method of classes , 2007 .

[11]  J. Boon The Lattice Boltzmann Equation for Fluid Dynamics and Beyond , 2003 .

[12]  Iliya V. Karlin,et al.  Entropy Function Approach to the Lattice Boltzmann Method , 2002 .

[13]  D. Wolf-Gladrow Lattice-Gas Cellular Automata and Lattice Boltzmann Models: An Introduction , 2000 .

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

[15]  R. Braatz,et al.  High resolution algorithms for multidimensional population balance equations , 2004 .

[16]  En Sup Yoon,et al.  On the solution of population balance equations (PBE) with accurate front tracking methods in practical crystallization processes , 2002 .

[17]  R. Braatz,et al.  Simulation of Mixing Effects in Antisolvent Crystallization Using a Coupled CFD-PDF-PBE Approach , 2006 .

[18]  Solomon Kullback,et al.  Information Theory and Statistics , 1960 .

[19]  Robert McGraw,et al.  Description of Aerosol Dynamics by the Quadrature Method of Moments , 1997 .

[20]  Lynn F. Gladden,et al.  Simulation of packed bed reactors using lattice Boltzmann methods , 2005 .

[21]  S. Motz,et al.  Comparison of numerical methods for the simulation of dispersed phase systems , 2002 .

[22]  Lynn F. Gladden,et al.  Single- and two-phase flow in fixed-bed reactors: MRI flow visualisation and lattice-Boltzmann simulations , 2001 .

[23]  Richard D. Braatz,et al.  Parallel high‐resolution finite volume simulation of particulate processes , 2008 .

[24]  Y. Pomeau,et al.  Lattice-gas automata for the Navier-Stokes equation. , 1986, Physical review letters.

[25]  Matthaeus,et al.  Recovery of the Navier-Stokes equations using a lattice-gas Boltzmann method. , 1992, Physical review. A, Atomic, molecular, and optical physics.

[26]  A. Seidel-Morgenstern,et al.  Numerical solutions of population balance models in preferential crystallization , 2008 .

[27]  Wolfgang Marquardt,et al.  A framework for the simulation of mass crystallization considering the effect of fluid dynamics , 2006 .

[28]  Constantinos Theodoropoulos,et al.  Coarse bifurcation studies of bubble flow lattice Boltzmann simulations , 2004 .

[29]  Francis J. Doyle,et al.  Computationally efficient solution of population balance models incorporating nucleation, growth and coagulation: application to emulsion polymerization , 2003 .

[30]  Y. Qian,et al.  Lattice BGK Models for Navier-Stokes Equation , 1992 .

[31]  R. LeVeque Numerical methods for conservation laws , 1990 .

[32]  D. Ramkrishna,et al.  On the solution of population balance equations by discretization - III. Nucleation, growth and aggregation of particles , 1997 .

[33]  T. Matsoukas,et al.  Fokker-Planck equation for particle growth by monomer attachment. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

[34]  Florian Huber,et al.  Numerical simulations of single phase reacting flows in randomly packed fixed-bed reactors and experimental validation , 2003 .

[35]  Santosh Ansumali,et al.  Single relaxation time model for entropic lattice Boltzmann methods. , 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.

[36]  P. Bhatnagar,et al.  A Model for Collision Processes in Gases. I. Small Amplitude Processes in Charged and Neutral One-Component Systems , 1954 .

[37]  Doraiswami Ramkrishna,et al.  Efficient solution of population balance equations with discontinuities by finite elements , 2002 .

[38]  Iliya V. Karlin,et al.  Perfect entropy functions of the Lattice Boltzmann method , 1999 .

[39]  Shiyi Chen,et al.  LATTICE BOLTZMANN METHOD FOR FLUID FLOWS , 2001 .

[40]  R. Benzi,et al.  Lattice Gas Dynamics with Enhanced Collisions , 1989 .

[41]  Jitendra Kumar,et al.  The cell average technique for solving multi-dimensional aggregation population balance equations , 2008, Comput. Chem. Eng..

[42]  Alexander N Gorban,et al.  Maximum Entropy Principle for Lattice Kinetic Equations , 1998 .

[43]  Alexander N Gorban,et al.  Nonequilibrium entropy limiters in lattice Boltzmann methods , 2007, 0704.0043.

[44]  Sauro Succi,et al.  A multi-relaxation lattice kinetic method for passive scalar diffusion , 2005 .