摘要
For the mixing-sensitive reactions, both chemical kinetics and mixing conditions of the reactants determine the distributions of products. The direct quadrature method of moments combining with the interaction by exchange with the mean micro-mixing model(DQMOM-IEM) has been validated for the chemical reacting flows in microreactors. Quite encouraging simulation results offer great promise, but the applicability of this method is needed to be explored furthermore, such as in stirred reactors. In this work, the two-environment DQMOM-IEM model was created with C language and used to customize Fluent through the user-defined functions. The mixing effects on the course of parallel competing chemical reactions carried out in a semi-batch single-phase stirred reactor were predicted. The simulation results show that the rising feed velocity enlarges the volume of reaction zone and maximize the yield of the by-product, which also indicates that the feed stream is more difficultly dispersed into the main stream and the zone surrounding feedpipe exit with high turbulent kinetic dissipation rate cannot be efficiently used.
For the mixing-sensitive reactions, both chemical kinetics and mixing conditions of the reactants determine the distributions of products. The direct quadrature method of moments combining with the interaction by exchange with the mean micro-mixing model（DQMOM-IEM） has been validated for the chemical reacting flows in microreactors. Quite encouraging simulation results offer great promise, but the applicability of this method is needed to be explored furthermore, such as in stirred reactors. In this work, the two-environment DQMOM-IEM model was created with C language and used to customize Fluent through the user-defined functions. The mixing effects on the course of parallel competing chemical reactions carried out in a semi-batch single-phase stirred reactor were predicted. The simulation results show that the rising feed velocity enlarges the volume of reaction zone and maximize the yield of the by-product, which also indicates that the feed stream is more difficultly dispersed into the main stream and the zone surrounding feedpipe exit with high turbulent kinetic dissipation rate cannot be efficiently used.
基金
Supported by the National Basic Research Program of China(2012CB224806)
the National Natural Science Foundation of China(21306197,91434126)
the Major National Scientific Instrument Development Project(21427814)
Jiangsu National Synergetic Innovation Center for Advanced Materials
