A Refined Parallel Simulation of Crossflow Membrane Filtration

[摘要] This work builds upon the previous research carried out in the development of asimulation that incorporated a dynamically-updating velocity profile and electricinteractions between particles with a Force Bias Monte Carlo method. Surface roughnessof the membranes is added to this work, by fixing particles to the membrane surface.Additionally, the previous electric interactions are verified through the addition of an allrangesolution to the calculation of the electrostatic double layer potential between twoparticles. Numerous numerical refinements are made to the simulation in order to ensureaccuracy and confirm that previous results using single-precision variables are accuratewhen compared to double-precision work. Finally, the method by which the particlesmove within a Monte Carlo step was altered in order to implement a different datahandling structure for the parallel environment. This new data handling structure greatlyreduces the runtime while providing a more realistic movement scheme for the particles.Additionally, this data handling scheme offers the possibility of using a variety ofn-bodyalgorithms that could, in the future, improve the speed of the simulation in cases withvery high particle counts.

[发布机构] Rice University

[效力级别] engineering