Gas membrane separation process is highly unpredictable due to interacting non-ideal factors, such as composition/pressure-dependent permeabilities and real gas behavior. Although molecular dynamic (MD) simulation can mimic those complex effects, it cannot precisely predict bulk properties due to scale limitations of calculation algorithm. This work proposes a method for modeling a membrane separation process for volatile organic compounds by combining the MD simulation with the free volume theory. This method can avoid the scale-up problems of the MD method and accurately simulate the performance of membranes. Small scale MD simulation and pure gas permeation data are employed to correlate pressure-irrelevant parameters for the free volume theory; by this approach, the microscopic effects can be directly linked to bulk properties (non-ideal permeability), instead of being fitted by a statistical approach. A lab-scale hollow fiber membrane module was prepared for the model validation and evaluation. The comparison of model predictions with experimental results shows that the deviations of product purity are reduced from 10% to less than 1%, and the deviations of the permeate and residue flow rates are significantly reduced from 40% to 4%, indicating the reliability of the model. The proposed method provides an efficient tool for process engineering to simulate the membrane recovery process.
In this work, a generic model describing the dynamic adsorption behaviour of proteins on membrane adsorbers over complete purification cycles under consideration of module geometry and of the interaction between multiple transport mechanisms is developed.A general rate model for membrane adsorption, in which the interaction between multiple phenomena, like mass transfer and adsorption kinetics are considered, is formulated. Hereby, the implemented isotherms describe the influence of eluting agents on the adsorption behaviour, so that complete purification cycle (loading, washing and elution operation) can be simulated.Using the developed model the theoretical influence of relevant transport phenomena, operating conditions and process scale on affinity and ion exchange membrane adsorption of proteins are investigated. An example on ion exchange membrane adsorption illustrates the possibility to predict scale up effects occurring in configurations of multiple membrane adsorber modules. The obtained simulation results are in accordance with experimental observations reported in literature. 相似文献