title: Lattice-Boltzmann method for the simulation of multiphase mass transfer and reaction of dilute species.
abstract: Despite the popularity of the lattice-Boltzmann method (LBM) in simulating multiphase flows, a general approach for modeling dilute species in multiphase systems is still missing. In this report we propose to modify the collision operator of the solute by introducing a modified redistribution scheme. This operator is based on local fluid variables and keeps the parallelism inherent to LBM. After deriving macroscopic transport equations, an analytical equation of state of the solute is exhibited and the method is proven constituting a unified framework to simulate arbitrary solute distribution between phases, including single-phase soluble compounds, amphiphilic species with a partition coefficient, and surface-adsorbed compounds.
authors.affiliation: The State Key Lab of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
authors.forename: Antoine
authors.initials: A
authors.lastname: Riaud
authors.affiliation: The State Key Lab of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
authors.forename: Shufang
authors.initials: S
authors.lastname: Zhao
authors.affiliation: The State Key Lab of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
authors.forename: Kai
authors.initials: K
authors.lastname: Wang
authors.affiliation: The State Key Lab of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Cheng
authors.affiliation: The State Key Lab of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
authors.forename: Guangsheng
authors.initials: G
authors.lastname: Luo
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D044085:Microfluidics / Q000379:methods*; D008956:Models, Chemical; D009716:Numerical Analysis, Computer-Assisted; D012996:Solutions / Q000737:chemistry*
chemical_list: D012996:Solutions