Computational Mass Transfer Method for Chemical Process Simulation

The recent works on the development of computational mass transfer （CMT） method and its applications in chemical process simulation are reviewed. Some development strategies and challenges in future research are also discussed.

Prediction of Distillation Column Performance by Computational Mass Transfer Method

A computational mass transfer model is proposed for predicting the concentration profile and Murphree efficiency of sieve tray distillation column. The proposed model is based on using modified c＇2 -εc＇ two equations formulation for closing the differential turbulent mass transfer equation with improvement by considering the vapor injected from the sieve hole to be three dimensional. The predicted concentration distributions by using proposed model were checked by experimental work conducted on a sieve tray simulator of 1.2 meters in diameter for desorbing the dissolved oxygen in the feed water by blowing air. The model predictions were confirmed by the experimental measurement. The validation of the proposed model was further tested by comparing the simulated result with the performance of an industrial scale sieve tray distillation column reported by Kunesh et al. for the stripping of toluene from its water solution. The predicted outlet concentration of each tray and the Murphree tray efficiencies under different operating conditions were in agreement with the published data. The simulated turbulent mass transfer diffusivity on each tray was within the range of the experimental result in the same sieve column reported by Cai et al. In addition, the prediction of the influence of sieve tray structure on the tray efficiency by using the proposed model was demonstrated.

A Reynolds mass flux model for gas separation process simulation:Ⅱ.Application to adsorption on activated carbon in a packed column

Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.041 m id,packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model,breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover,the anisotropic turbulent mass diffusion is characterized and discussed.

Entransy dissipation minimization for a class of one-way isothermal mass transfer processes

A class of one-way isothermal mass transfer processes with Fick’s diffusive mass transfer law[g ∝Δ(c)]is investigated in this paper.Based on the definition of the mass entransy,the entransy dissipation function which reflects the irreversibility of mass transfer ability loss is derived.The optimal concentration allocations of the key components corresponding to the highand low-concentration sides for the minimum entransy dissipation of the mass transfer process are obtained by applying opti- mal control theory and compared with the strategies of the minimum entropy generation,constant mass transfer flux(constant concentration difference),and constant concentration ratio(constant chemical potential difference).The results are as follows. For the optimal mass transfer strategy of the minimum entransy dissipation,the product of the square of the key component concentration difference between the high-and the low-concentration sides and the inert component concentration at the low-concentration side is a constant,while for that of the minimum entropy generation,the ratio of the square of the key com-ponent concentration difference between the high-and the low-concentration sides to the key component concentration at the low-concentration side is a constant;when the mass transfer process is not involved in energy conversion process,the optimi-zation principle should be the minimum entransy dissipation;the mass transfer strategy of constant concentration difference is superior to that of constant concentration ratio.The results obtained in this paper can provide some theoretical guidelines for optimal designs and operations of practical mass transfer processes.

Mass transfer between bubbles and the dense phasein gas fluidized beds

Mass transfer between a bubble and the dense phase in gas fluidized beds of Group A and Group B particles was proposed based on previous experimental results and literature data. The mass transfer coefficient between bubbles and the dense phase was determined by kbe = 0.21 db. A theoretical analysis of the mass transfer coefficient between a bubble and the dense phase using diffusion equations showed that the mass transfer coefficient between a bubble and the dense phase is kbe α εmf√ub/db in both three- and two-dimensional fiuidized beds. An effective diffusion coefficient in gas fluidized beds was introduced and correlated with bubble size as De = 13.3db2.7 for Group A and Group B particles. The mass transfer coefficient kbe can then be expressed as kbe = 0.492εmf√ubdb1.7 for bubbles in a three-dimensional bed and kbe = 0.576εm√ubdb1.7 for bubbles in a two-dimensional bed.