Simulation of Mass Transfer in a Microfluidic Experiment Using the Moving Mesh Method

K. Weisbrod[1], R. Roberts[1], R. Chamberlin[1], S. Yarbro[1]
[1]Los Alamos National Lab, Los Alamos, NM, USA
Published in 2014

Multiphase flow in a microreactor was studied numerically for two immiscible liquids. Validation of the model was sought by simulating the flow behavior and mass transfer characteristics of a neutralization reaction described in the literature. Contact angles, interfacial tension and the pressure field defined the interfacial boundary configuration. After first performing simulations to capture the velocity profile, mass transfer and reaction rates were modeled. Mass transfer between phases was determined through a measured partition coefficient. While the influence of contact angle upon extent of reaction was explored for a 2-D model, 3-D simulations more closely represented the measured reaction rate. COMSOL Multiphysics® software was found to effectively simulate the experiment and provides a tool for evaluating process sensitivities.