توسعه روش شبكه حفره در مدل سازي واكنش هاي گاز جامد غير كاتاليستي مطالعه موردي جذب دي اكسيد گوگرد توسط جاذب هاي اكسيد مس

چكيده انگليسي :

115Development of Pore Network Method in Simulation of Non Catalytic Gas Solid Reaction Study of Sulphurdioxide Chemisorption on Copper Oxide Sorbents Hadi Adloo E mail h adloo@ce iut ac ir 2014 01 01 Department of Chemical Engineering Isfahan University of Technology Isfahan 84156 83111 IranDegree PhD Language FarsiSupervisor Prof M R Ehsani E mail ehsanimr@cc iut ac irAbstractIn this thesis aims and achievements of the research done in the field of porous media pore network simulation were discussed Pore network simulation was performed to predict the behaviour of porous media through singlecomponent permeation in carboneous membranes and also diffusion came up with a non catalytic gas solidreaction NCGSR with a solid product SO2 reaction of sorbent CuO Al2O3 In the experimental section SO2 reaction with copper oxide supported alumina as a NCGSR was considered Therefore Alumina based CuO adsorbents were produced using sol gel method under modified Yoldasprocedure Five different concentrations of copper oxide sorbent 8 to 17 wt were prepared and characterizedwith ICP and Nitrogen sorption desorption tests Their capacities for desulfurization were characterized in ahandmade fixed bed reactor Nitrogen sorption desorption analysis showed that the surface area and the poresize of the sorbents are larger in comparison with other researchers Also ICP results revealed that theconcentrations of the final dry sorbents are compared to those at the preparation step Breakthrough results of the reactor tests from fixed bed laboratory reactor at different temperatures andconcentrations indicate capacity for SO2 capture Under the same conditions of temperature and gas velocity Cu 14 with 14 wt of CuO has the highest capacity of SO2 Three dimensional pore network simulation for permeation or NCGSR was proposed Network consists ofregular and non overlapping holes in three dimensions with the maximum number of neighbors equal to 6 Low density permeations of some gases He H2 N2 CH4 CO2 and CF4 through micro and meso carboneouspores were investigated using Knudsen and Oscillator models Lennard Jones model in single layer pores wasused to simulate the gas solid interactions in the Oscillator model The simulation results were compared withthe experimental selectivity of some pure gases in two different membranes extracted from the literature It wasshown that the Oscillator model can better predict the experimental data in the membranes of smaller pores i e ra 2 74nm The pore network model was then used to simulate the NCGSR To obtain a model for NCGS reaction in thepore network we first proposed a model for pore conversion As the reaction progresses the pore radiusdecreases due to formation of the product layer The rate of pore shrinkage is calculated using the reaction anddiffusion within the product layer Then the model is used to predict the conversion of the network The poresare blocked sequentially until no further diffusion to the network was allowed The model is verified using theexperimental data of thermal gravimetric analysis form literature and also the breakthrough curves from fixedbed reactor It was revealed that the pore network simulation accompanied by NCGSR can provide a suitableestimate for effectiveness factor of the sorbents Keywords Desulphurization Knudsen model Non catalytic gas solid reaction Oscillatormodel Pore network simulation

عدلو، هادي

توسعه روش شبكه حفره در مدل سازي واكنش هاي گاز جامد غير كاتاليستي مطالعه موردي جذب دي اكسيد گوگرد توسط جاذب هاي اكسيد مس