滴流床反应器催化剂颗粒微观结构的模拟优化
|
摘要
使用SIMP变密度拓扑优化法,对滴流床反应器催化剂颗粒的拓扑形状和催化活性组分在颗粒中的分布进行优化设计,研究了催化剂颗粒在不同的反应速率、反应级数、反应组分扩散系数和液膜厚度下的优化形态。结果表明,维持催化活性组分在催化剂颗粒载体中的浓度不变时,在颗粒中制作成洋葱或树状的中空结构可有效提升催化剂效率;维持催化剂颗粒形状不变时,为提高催化能力,可将催化活性组分沿颗粒侧表面集中分布。经催化剂结构优化后,颗粒对一级反应的催化转化率提高了19%~36%,对二级反应提高了50%~76%;经催化活性组分分布优化后,颗粒对一级慢反应的催化转化率提高了1~6倍,对二级慢反应提高了5~7倍。
SIMP(solid isoropic microstructures with pehalization) scheme was applied in the optimization of catalyst geometric structure and active component distribution in catalyst particles for trickle bed reactors. The optimal micro-structure under different reaction rates, reaction orders, reactant diffusion coefficients and liquid film thickness was studied. The results show that onion ring or tree-like hole structures can improve catalytic performance when the active component concentration keeps unchanged. When the particle structure is remained, surface distribution of active components can help to improve catalytic performance. The catalytic efficiency can be increased by 19%~36% for the first order reaction and 50%~76% for the second order reaction after structure optimization. Moreover, the catalytic efficiency can be increased by 100%~600% for the first order slow reaction and 500%~700% for the second order slow reaction after optimization of active component distribution.
SIMP(solid isoropic microstructures with pehalization) scheme was applied in the optimization of catalyst geometric structure and active component distribution in catalyst particles for trickle bed reactors. The optimal micro-structure under different reaction rates, reaction orders, reactant diffusion coefficients and liquid film thickness was studied. The results show that onion ring or tree-like hole structures can improve catalytic performance when the active component concentration keeps unchanged. When the particle structure is remained, surface distribution of active components can help to improve catalytic performance. The catalytic efficiency can be increased by 19%~36% for the first order reaction and 50%~76% for the second order reaction after structure optimization. Moreover, the catalytic efficiency can be increased by 100%~600% for the first order slow reaction and 500%~700% for the second order slow reaction after optimization of active component distribution.
引文
[1]Heidari A,Hashemabadi S H.CFD study of diesel oil hydrotreating process in the non-isothermal trickle bed reactor[J].Chemical Engineering Research and Design,2015,94(1):549-564.
[2]Vonortas A,Papayannakos N.Hydrodesulphurization and hydrodeoxygenation of gasoil-vegetable oil mixtures over a Pt/γ-Al2O3catalyst[J].Fuel Processing Technology,2016,150(1):126-131.
[3]Singh A,Pant K K,Nigam K D P.Catalytic wet oxidation of phenol in a trickle bed reactor[J].Chemical Engineering Journal,2004,103(7):51-57.
[4]Maranh?o L C A,Abreu C A M P.Continuous process of fine polyols production in a trickle-bed reactor[J].Industrial and Engineering Chemistry Research,2005,44(25):9642-9645.
[5]Nawaf A T,Gheni S A,Jarullah A T,et al.Optimal design of a trickle bed reactor for light fuel oxidative desulfurization based on experiments and modeling[J].Energy Fuels,2015,29(5):3366-3376.
[6]Gallina G,Biasi P,García J,et al.Optimized H2O2 production in a trickled bed reactor,using water and methanol enriched with selectivity promoters[J].Chemical Engineering Science,2015,123(1):334-340.
[7]Ayude A,Cassanello M,Martínez O,et al.Yield optimization in a cycled trickle-bed reactor:ethanol catalytic oxidation as a case study[J].Chemical Engineering Technology.2012,35(5):899-903.
[8]Bends?e M P,Sigmund O.Topological Optimization[M].New York:Springer Press,2004:1-8.
[9]XIA Tian-xiang(夏天翔),YAO Wei-xing(姚卫星).A survey of topology optimization of continuum structure(连续体结构拓扑优化方法评述)[J].Advances in Aeronautical Science and Engineering(航空工程进展),2011,2(1):1-11.
[10]Okkels F,Bruus H.Scaling behavior of optimally structured catalytic micro fluidic reactors[J].Physical Review.2007,E75,016301:1-4.
[11]Schapper D,Fernandes R L,Lantz A E,et al.Topology optimized micro bioreactors[J].Biotechnology and Bioengineering,2011,108(4):786-796.
[12]James W,Catalyst designs to enhance diffusivity and performance-I:concepts and analysis[J].Chemical Engineering Science,2011,66(19):4382-4388.
[13]LUO Zheng-hong(罗正鸿),WEN Shao-hua(温少桦),SU Pei-lin(苏培林),et al.Intraparticle mass and heat transport model of polypropylene in a loop reactor(环管反应器中聚丙烯颗料内部的质量与热量传递模型)[J].Journal of Chemical Engineering of Chinese Universities(高校化学工程学报),2009,23(2):258-262.
[14]Cunfu W,Min Z,Tong G.Structural topology optimization with design-dependent pressure loads[J].Structural and Multidisciplinary Optimization,2016,53(1):1005–1018.
[15]Gill P E,Murray W,Saunders M A.SNOPT:an SQP algorithm for large-scale constrained optimization[J].Siam Review,2005,47(1):99-131.
[16]Solsvik J,Jakobsen H A.Modeling of multicomponent mass diffusion in porous spherical pellets:application to steam methane reforming and methanol synthesis[J].Chemical Engineering Journal,2011,66(1):1986-2000.
[2]Vonortas A,Papayannakos N.Hydrodesulphurization and hydrodeoxygenation of gasoil-vegetable oil mixtures over a Pt/γ-Al2O3catalyst[J].Fuel Processing Technology,2016,150(1):126-131.
[3]Singh A,Pant K K,Nigam K D P.Catalytic wet oxidation of phenol in a trickle bed reactor[J].Chemical Engineering Journal,2004,103(7):51-57.
[4]Maranh?o L C A,Abreu C A M P.Continuous process of fine polyols production in a trickle-bed reactor[J].Industrial and Engineering Chemistry Research,2005,44(25):9642-9645.
[5]Nawaf A T,Gheni S A,Jarullah A T,et al.Optimal design of a trickle bed reactor for light fuel oxidative desulfurization based on experiments and modeling[J].Energy Fuels,2015,29(5):3366-3376.
[6]Gallina G,Biasi P,García J,et al.Optimized H2O2 production in a trickled bed reactor,using water and methanol enriched with selectivity promoters[J].Chemical Engineering Science,2015,123(1):334-340.
[7]Ayude A,Cassanello M,Martínez O,et al.Yield optimization in a cycled trickle-bed reactor:ethanol catalytic oxidation as a case study[J].Chemical Engineering Technology.2012,35(5):899-903.
[8]Bends?e M P,Sigmund O.Topological Optimization[M].New York:Springer Press,2004:1-8.
[9]XIA Tian-xiang(夏天翔),YAO Wei-xing(姚卫星).A survey of topology optimization of continuum structure(连续体结构拓扑优化方法评述)[J].Advances in Aeronautical Science and Engineering(航空工程进展),2011,2(1):1-11.
[10]Okkels F,Bruus H.Scaling behavior of optimally structured catalytic micro fluidic reactors[J].Physical Review.2007,E75,016301:1-4.
[11]Schapper D,Fernandes R L,Lantz A E,et al.Topology optimized micro bioreactors[J].Biotechnology and Bioengineering,2011,108(4):786-796.
[12]James W,Catalyst designs to enhance diffusivity and performance-I:concepts and analysis[J].Chemical Engineering Science,2011,66(19):4382-4388.
[13]LUO Zheng-hong(罗正鸿),WEN Shao-hua(温少桦),SU Pei-lin(苏培林),et al.Intraparticle mass and heat transport model of polypropylene in a loop reactor(环管反应器中聚丙烯颗料内部的质量与热量传递模型)[J].Journal of Chemical Engineering of Chinese Universities(高校化学工程学报),2009,23(2):258-262.
[14]Cunfu W,Min Z,Tong G.Structural topology optimization with design-dependent pressure loads[J].Structural and Multidisciplinary Optimization,2016,53(1):1005–1018.
[15]Gill P E,Murray W,Saunders M A.SNOPT:an SQP algorithm for large-scale constrained optimization[J].Siam Review,2005,47(1):99-131.
[16]Solsvik J,Jakobsen H A.Modeling of multicomponent mass diffusion in porous spherical pellets:application to steam methane reforming and methanol synthesis[J].Chemical Engineering Journal,2011,66(1):1986-2000.