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丙烯聚合建模研究:扩散作用的影响 被引量:7
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作者 范顺杰 徐用懋 《化工学报》 EI CAS CSCD 北大核心 2000年第6期771-777,共7页
提出了均匀分布多粒模型 (UMGM) ,用于研究单个聚丙烯粒子的增长过程。在不考虑催化剂多活性中心和失活的情况下 ,扩散作用能够在较大范围内解释丙烯聚合过程中分子量分布以及反应速率的变化。分析了扩散系数、催化剂的活性以及催化剂... 提出了均匀分布多粒模型 (UMGM) ,用于研究单个聚丙烯粒子的增长过程。在不考虑催化剂多活性中心和失活的情况下 ,扩散作用能够在较大范围内解释丙烯聚合过程中分子量分布以及反应速率的变化。分析了扩散系数、催化剂的活性以及催化剂颗粒大小对反应的影响。仿真结果表明 ,扩散作用对高活性催化剂的影响更加显著 ,并且与催化剂粒子的大小有密切关系。本模型能够方便地扩展到多活性中心以及采用更加复杂的微观反应动力学方程 .与其他单粒子模型相比 ,UMGM模型参数物理意义明确 ,计算速度快 ,为工业反应器的建模和优化奠定了基础。 展开更多
关键词 丙烯 聚合 扩散-反应 UMGM模型 聚丙烯
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混凝土硫酸盐侵蚀理论模型的研究现状及展望 被引量:10
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作者 刘鑫 刘伟庆 +2 位作者 王曙光 徐锋 韩建德 《材料导报》 EI CAS CSCD 北大核心 2014年第13期89-95,100,共8页
综合评述了混凝土硫酸盐侵蚀理论模型的研究进展。首先总结了混凝土受硫酸盐侵蚀的劣化机理及存在的争议问题,着重介绍了两类硫酸盐侵蚀理论模型的最新研究进展,包括离子扩散反应,材料初始裂缝的影响,水泥石微观结构改变以及材料损伤演... 综合评述了混凝土硫酸盐侵蚀理论模型的研究进展。首先总结了混凝土受硫酸盐侵蚀的劣化机理及存在的争议问题,着重介绍了两类硫酸盐侵蚀理论模型的最新研究进展,包括离子扩散反应,材料初始裂缝的影响,水泥石微观结构改变以及材料损伤演化等问题。对各模型的理论基础、适用条件及存在的不足进行了分析,并提出了硫酸盐侵蚀建模中需要考虑的关键问题。最后,对硫酸盐侵蚀理论模型今后的研究重点进行了展望。 展开更多
关键词 混凝土 硫酸盐侵蚀 理论模型 扩散反应 损伤累积
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CO_2/N_2 separation using supported ionic liquid membranes with green and cost-effective [Choline][Pro]/PEG200 mixtures 被引量:8
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作者 Tengteng Fan Wenlong Xie +3 位作者 Xiaoyan Ji Chang Liu Xin Feng Xiaohua Lu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2016年第11期1513-1521,共9页
The high price and toxicity of ionic liquids(ILs) have limited the design and application of supported ionic liquid membranes(SILMs) for CO_2 separation in both academic and industrial fields. In this work, [Choline][... The high price and toxicity of ionic liquids(ILs) have limited the design and application of supported ionic liquid membranes(SILMs) for CO_2 separation in both academic and industrial fields. In this work, [Choline][Pro]/polyethylene glycol 200(PEG200) mixtures were selected to prepare novel SILMs because of their green and costeffective characterization, and the CO_2/N_2 separation with the prepared SILMs was investigated experimentally at temperatures from 308.15 to 343.15 K. The temperature effect on the permeability, solubility and diffusivity of CO_2 was modeled with the Arrhenius equation. A competitive performance of the prepared SILMs was observed with high CO_2 permeability ranged in 343.3–1798.6 barrer and high CO_2/N_2 selectivity from 7.9 to 34.8.It was also found that the CO_2 permeability increased 3 times by decreasing the viscosity of liquids from 370 to38 m Pa·s. In addition, the inherent mechanism behind the significant permeability enhancement was revealed based on the diffusion-reaction theory, i.e. with the addition of PEG200, the overall resistance was substantially decreased and the SILMs process was switched from diffusion-control to reaction-control. 展开更多
关键词 CO2/N2separation Supported ionic liquid membranes (SILMs) [Choline][Pro]/PEG200 diffusion-reaction theory
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废水生物膜动力学参数的研究方法 被引量:7
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作者 邱玉琴 周小红 施汉昌 《中国环境科学》 EI CAS CSCD 北大核心 2008年第8期679-682,共4页
当主体水溶液为生物膜提供的溶解氧浓度充分大时,生物膜中的溶解氧浓度成为限制微生物生长的唯一因素.在此条件下,以分离式氧微电极为测试工具,对生物膜中的氧分布进行检测,结合稳态条件下生物膜内扩散-反应方程,采用搜索法求解生物膜... 当主体水溶液为生物膜提供的溶解氧浓度充分大时,生物膜中的溶解氧浓度成为限制微生物生长的唯一因素.在此条件下,以分离式氧微电极为测试工具,对生物膜中的氧分布进行检测,结合稳态条件下生物膜内扩散-反应方程,采用搜索法求解生物膜动力学参数.生物膜动力学参数估值结果为qmax=10mg(O2)/[g(VSS)-h],KO=1.2mg/L.与活性污泥相比,用该方法获得的qmax值较小,kO值较大. 展开更多
关键词 生物膜 动力学参数 微电极 扩散-反应
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Microstructure evolution of Al-Ti liquid-solid interface 被引量:5
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作者 蒋淑英 李世春 张磊 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2013年第12期3545-3552,共8页
Al-Ti diffusion couples were made by embedded technology and treated at the temperature between the melting points of Al and Ti. The microstructure evolution and growth mechanism of the Al-Ti DRZ were investigated. Th... Al-Ti diffusion couples were made by embedded technology and treated at the temperature between the melting points of Al and Ti. The microstructure evolution and growth mechanism of the Al-Ti DRZ were investigated. The result shows that the DRZ, the mixture of TiAl3 and Al, grows layer by layer along their chemical equilibrium zone. In the course, the growth interface moves toward the aluminum side. TiAl3 is the only new phase which forms earliest in the course of heat-treatment. The growth mechanism of the DRZ changes after the phase transition of titanium. Before the phase transition of titanium, the growth of the DRZ is controlled by the dissolution speed of the titanium to the molten aluminum, while after the phase transition of titanium, the growth is controlled by the chemical reaction speed of Al and Ti atoms, and consequently, its growth rate is greatly increased. 展开更多
关键词 Al-Ti liquid-solid interface diffusion-reaction zone microstructure evolution growth mechanism
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铀矿堆浸酸性尾渣中和的动力学特征及模型 被引量:3
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作者 丁德馨 刘玉龙 +1 位作者 李广悦 王有团 《原子能科学技术》 EI CAS CSCD 北大核心 2010年第5期538-542,共5页
采用氧化钙、氢氧化钠和氨水作为中和剂,对铀矿堆浸酸性尾渣进行中和试验,试验过程中检测了中和体系的pH随时间的变化,并根据检测结果建立了尾渣中和的动力学模型。结果表明,铀矿堆浸酸性尾渣的中和过程,包括尾渣颗粒表面余酸与中和剂... 采用氧化钙、氢氧化钠和氨水作为中和剂,对铀矿堆浸酸性尾渣进行中和试验,试验过程中检测了中和体系的pH随时间的变化,并根据检测结果建立了尾渣中和的动力学模型。结果表明,铀矿堆浸酸性尾渣的中和过程,包括尾渣颗粒表面余酸与中和剂的快速反应,及尾渣颗粒内部余酸与中和剂的缓慢扩散-反应两个阶段;中和过程中,中和剂扩散-反应的非线性耦合和反馈作用模型,可很好地反映尾渣中和反应的过程和方式,中和体系的pH呈现出明显的非线性振荡现象;尾渣中和的动力学模型,能很好地拟和中和体系的pH随时间的变化。 展开更多
关键词 铀矿堆浸酸性尾渣 中和 扩散-反应 动力学模型
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DIFFUSION AND REACTION OF BENZENE HYDROGENATION OVER POROUS Ni/γ-Al_2O_3 CATALYST
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作者 葛庆峰 李绍芬 廖晖 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 1993年第4期28-37,共10页
The macro-kinetics of benzene hydrogenation over porous Ni/γ-Al<sub>2</sub>O<sub>3</sub> catalyst was measured with asingle-pellet diffusion reactor.Based on the dusty-gas model,the differenti... The macro-kinetics of benzene hydrogenation over porous Ni/γ-Al<sub>2</sub>O<sub>3</sub> catalyst was measured with asingle-pellet diffusion reactor.Based on the dusty-gas model,the differential equations by taking into account ofthe variation of effective diffusivities with the composition were derived to describe the diffusion and reactionprocesses of reacting species over porous catalyst.Using the tortuosity factors determined under the condition ofsteady physical diffusion,the global reaction rates were calculated by solving the equations,and the results are ingood agreement with the experimental data obtained. 展开更多
关键词 diffusion-reaction kinetics BENZENE HYDROGENATION MULTICOMPONENT diffusion
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Density-Dependent Conformable Space-time Fractional Diffusion-Reaction Equation and Its Exact Solutions 被引量:2
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作者 Kamyar Hosseini Peyman Mayeli +1 位作者 Ahmet Bekir Ozkan Guner 《Communications in Theoretical Physics》 SCIE CAS CSCD 2018年第1期1-4,共4页
In this article, a special type of fractional differential equations(FDEs) named the density-dependent conformable fractional diffusion-reaction(DDCFDR) equation is studied. Aforementioned equation has a significant r... In this article, a special type of fractional differential equations(FDEs) named the density-dependent conformable fractional diffusion-reaction(DDCFDR) equation is studied. Aforementioned equation has a significant role in the modelling of some phenomena arising in the applied science. The well-organized methods, including the exp(-φ(ε))-expansion and modified Kudryashov methods are exerted to generate the exact solutions of this equation such that some of the solutions are new and have been reported for the first time. Results illustrate that both methods have a great performance in handling the DDCFDR equation. 展开更多
关键词 density-dependent conformable fractional diffusion-reaction equation exp(-Ф(ε) )-expansion method modified Kudryashov method exact solutions
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Memory Effect in Chemotaxis Equation
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作者 Bhupendra Singh Loukrakpam Kennedy Meitei +3 位作者 Ranjit Kumar Varun Malik Yogesh Kumar Nihal Kumar 《Journal of Modern Physics》 2016年第10期1105-1111,共7页
Diffusion-Reaction (DR) equation has been used to model a large number of phenomena in nature. It may be mentioned that a linear diffusion equation does not exhibit any traveling wave solution. But there are a vast nu... Diffusion-Reaction (DR) equation has been used to model a large number of phenomena in nature. It may be mentioned that a linear diffusion equation does not exhibit any traveling wave solution. But there are a vast number of phenomena in different branches not only of science but also of social sciences where diffusion plays an important role and the underlying dynamical system exhibits traveling wave features. In contrast to the simple diffusion when the reaction kinetics is combined with diffusion, traveling waves of chemical concentration are found to exist. This can affect a biochemical change, very much faster than straight diffusional processes. This kind of coupling results into a nonlinear (NL) DR equation. In recent years, memory effect in DR equation has been found to play an important role in many branches of science. The effect of memory enters into the dynamics of NL DR equation through its influence on the speed of the travelling wavefront. In the present work, chemotaxis equation with source term is studied in the presence of finite memory and its solution is compared with the corresponding chemotaxis equation without finite memory. Also, a comparison is made between Fisher-Burger equation and chemotaxis equation in the presence of finite memory. We have shown that nonlinear diffusion-reaction-convection equation is equivalent to chemotaxis equation. 展开更多
关键词 CHEMOTAXIS Nonlinear diffusion-reaction Equation Finite Memory Effect Solitary Wave Solutions
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FINITE ELEMENT METHOD FOR SOLVING TWO-DIMENSIONAL DIFFUSION-REACTION EQUATIONS OF BOUNDARY LAYER TYPE IN POROUS CATALYST PELLET
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作者 潘天舒 孙启文 +1 位作者 房鼎业 朱炳辰 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 1995年第2期29-41,共13页
In this paper,finite element method(FEM)is used to solve two-dimensional diffu-sion-reaction equations of boundary layer type.This kind of equations are usually too complicatedand diffcult to be solved by applying the... In this paper,finite element method(FEM)is used to solve two-dimensional diffu-sion-reaction equations of boundary layer type.This kind of equations are usually too complicatedand diffcult to be solved by applying the traditional methods used in chemical engineering becauseof the steep gradients of concentration and temperature.But,these difficulties are easy to be over-comed when the FEM is used.The integraded steps of solving this kind of problems by the FEMare presented in this paper.By applying the FEM to the two actual examples,the conclusion can bereached that the FEM has the advantages of simplicity and good accuracy. 展开更多
关键词 FINITE element method diffusion-reaction equation BOUNDARY layer type
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Simulation and visualization experiment of manganese ion diffusion and damage to gel in a porous media-gel system
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作者 GU Chunyuan QIN Rongsheng +3 位作者 DI Qinfeng JIANG Fan LIU Zi'ang CHEN Huijuan 《Petroleum Exploration and Development》 2019年第2期367-373,共7页
A new visualization method for studying the damage to gel structure caused by high salinity ions is explored by using the characteristics of suppression image signal of Mn^(2+) and nuclear magnetic resonance(NMR) imag... A new visualization method for studying the damage to gel structure caused by high salinity ions is explored by using the characteristics of suppression image signal of Mn^(2+) and nuclear magnetic resonance(NMR) imaging technique. The diffusion and distribution characteristics of Mn^(2+) in porous media-gel system were studied based on manganese chloride static diffusion and gel flooding experiments, and the gel's nuclear magnetic image and displacement pressure were tested. The results show that the diffusion of Mn^(2+)conforms to the Fick diffusion law in porous media-gel system, and the diffusion speed of Mn^(2+) increases and the area of gel image decreases gradually with the increase of concentration, and the image of gel decreases faster and the pressure drop of water drive is larger in flooding experiment of manganese chloride with higher concentration. Reaction-diffusion model with the reaction of Mn^(2+) with gel was established to study the concentration distribution characteristics of Mn^(2+). The model is validated by comparing the results with magnetic resonance imaging(MRI) experiments and the diffusion coefficient of Mn^(2+) equals 1.6 mm^2/h, and the minimum concentration of Mn^(2+) to impact gel NMR image signals is 2.5 g/L. The above results show that the diffusion of Mn^(2+) into the gel in the rock core inhibits the imaging signal of the gel and damages its strength, and the greater the concentration is, the greater the influence. Increase of adsorption amount of gel and reaction rate, reduction of diffusion time, and addition of ion adsorption isolator all can reduce the impact of Mn^(2+) on the gel. 展开更多
关键词 profile control with GEL diffusion-reaction model MANGANESE CHLORIDE magnetic resonance imaging GEL DAMAGE visualization numerical SIMULATION
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固定化微生物两级还原耦合络合吸收工艺脱除NO_x的动力学研究 被引量:1
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作者 林添明 周作明 荆国华 《热力发电》 CAS 北大核心 2013年第8期49-54,共6页
分析了固定化微生物两级还原耦合络合吸收工艺脱除NOx的动力学过程,建立了生物反应器内固定化微生物还原Fe(Ⅱ)EDTA-NO和Fe(Ⅲ)EDTA的生化反应模型以及固定化生物小球的扩散-反应模型。分析结果表明:固定化反硝化菌还原Fe(Ⅱ)EDTA-NO的... 分析了固定化微生物两级还原耦合络合吸收工艺脱除NOx的动力学过程,建立了生物反应器内固定化微生物还原Fe(Ⅱ)EDTA-NO和Fe(Ⅲ)EDTA的生化反应模型以及固定化生物小球的扩散-反应模型。分析结果表明:固定化反硝化菌还原Fe(Ⅱ)EDTA-NO的最大反应速度γmax为6.97×10-6 mmol/(m3·s-1),半饱和常数Km为0.001 6mmol/m3;固定化铁还原菌还原Fe(Ⅲ)EDTA的最大反应速度γ′max为6.805×10-5 mmol/(m3·s-1),半饱和速率常数K′m为0.013 73mmol/m3;Fe(Ⅱ)EDTA-NO和Fe(Ⅲ)EDTA的微生物还原过程均由内扩散控制,后期设计运用中应着力提高小球内反应物的扩散速率。 展开更多
关键词 烟气脱氮 固定化微生物 两级还原 络合吸收 扩散-反应 动力学
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Solutions and Conditional Lie-Backlund Symmetries of Quasi-linear Diffusion-Reaction Equations 被引量:1
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作者 ZUO Su-Li QU Chang-Zheng 《Communications in Theoretical Physics》 SCIE CAS CSCD 2009年第1期6-12,共7页
New classes of exact solutions of the quasi-linear diffusion-reaction equations are obtained by seeking for the high-order conditional Lie-Baeklund symmetries of the considered equations. The method used here extends ... New classes of exact solutions of the quasi-linear diffusion-reaction equations are obtained by seeking for the high-order conditional Lie-Baeklund symmetries of the considered equations. The method used here extends the approaches of derivative-dependent functional separation of variables and the invariant subspace. Behavior to some solutions such as blow-up and quenching is also described. 展开更多
关键词 conditional Lie-Backlund symmetry exact solution quasi-linear diffusion-reaction equation
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双层球壳结构准静态线性化学弹性问题的位移势函数解 被引量:1
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作者 张连鑫 仲政 张晓龙 《力学季刊》 CSCD 北大核心 2018年第3期523-534,共12页
本文研究了各向同性固体的化学-力学耦合问题,在传统化学弹性理论描述的扩散-变形耦合关系基础上,进一步考虑了化学反应与固体变形的相互作用关系,发展了等温状态下固体-扩散-反应-变形耦合的线性化学弹性理论,拓展了化学弹性力学的应... 本文研究了各向同性固体的化学-力学耦合问题,在传统化学弹性理论描述的扩散-变形耦合关系基础上,进一步考虑了化学反应与固体变形的相互作用关系,发展了等温状态下固体-扩散-反应-变形耦合的线性化学弹性理论,拓展了化学弹性力学的应用范围.该理论能够同时描述固体内介质扩散和固体与介质之间化学反应两个不同时间尺度的化学过程,并给出由此引起的弹性范围内的应变和应力.为应用该模型求解具体化学弹性问题,本文通过构造扩散-反应位移势函数来获得位移特解形式,再与齐次Lamé方程通解叠加获得完整解;针对反应控制问题,引入化学弹性准静态假设,将反应-扩散-变形全耦合的瞬态过程分解为两个可解耦的相继过程,从而获得相应位移解.基于此解法,本文获得了反应控制的双层球壳结构化学弹性问题的解析解,并分析了化学反应、几何结构和弹性模量对应力分布的影响. 展开更多
关键词 化学弹性 扩散-反应 位移势函数 解析解
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吸附相反应结晶过程的模型与数值模拟
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作者 蒋新 刘斐 李元朴 《化学工程》 CAS CSCD 北大核心 2009年第4期15-18,共4页
针对吸附相反应技术制备CuO/SiO2的过程,构建了体系中反应物的扩散传递、反应、成核、生长等过程的模型,通过深入剖析过程的机理,对复杂的微分方程组进行解耦。在MATLAB平台上数值求解模型,得到了本体相、吸附相中各组分的浓度随时间的... 针对吸附相反应技术制备CuO/SiO2的过程,构建了体系中反应物的扩散传递、反应、成核、生长等过程的模型,通过深入剖析过程的机理,对复杂的微分方程组进行解耦。在MATLAB平台上数值求解模型,得到了本体相、吸附相中各组分的浓度随时间的变化以及CuO粒子的生长过程,为深入了解过程的内在规律提供了依据。结果表明:吸附层中Cu(OH)2的浓度迅速上升然后趋于定值,而本体相中的Cu(OH)2浓度一直维持在很低的水平;结晶过程的成核时间短,且最后获得了粒径窄分布的小粒径粒子。 展开更多
关键词 吸附层 扩散反应 结晶 数值模拟
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全空间中带时滞的反应扩散方程组
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作者 田灿荣 《Journal of Mathematical Research and Exposition》 CSCD 北大核心 2006年第3期539-546,共8页
文应用上下解的方法以及单调迭代序列的积分表达式,证明了在半空间R^n中耦合的时滞反应扩散方程组全局解的存在唯一性,并且用它解决了一类特殊的、Volterra-Lotka模型的解的存在性问题.
关键词 反应扩散方程组 时滞 上下解 Volterra-Lotka竞争模型
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Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann
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作者 Giuseppe De Prisco Xiaowen Shan 《Communications in Computational Physics》 SCIE 2011年第5期1362-1374,共13页
Multi-component flow with chemical reactions is a common problem in different industrial applications:the mixing chamber of a reaction injection molding(RIM)machine;the dynamics of diesel soot particles interacting wi... Multi-component flow with chemical reactions is a common problem in different industrial applications:the mixing chamber of a reaction injection molding(RIM)machine;the dynamics of diesel soot particles interacting with a porous-ceramic particulate filter;reactive transport in porous media;bio-chemical processes involving enzyme-catalyzed kinetics.In all these cases,mass diffusion/convection and wall or volume chemical interactions among components play an important role.In the present paper we underline the importance of diffusion/convection/reaction mechanisms in bio-chemical processes using the Lattice Boltzmann(LB)technique.The bio-application where we studied diffusion/convection/reaction mechanisms is the quorum-sensing pathway for the bio-synthesis of the AI-2,a molecule that allows the bacteria to launch a coordinated attack on a host immune system(see[9,10]for more details of the bio-application).The overall goal is to create a micro-device to screen potential drugs that inhibit AI-2 bio-synthesis.The Michaelis-Menten saturation kinetic model is implemented at the reactive surface and the results are shown in terms of two dimensionless numbers:Damkohler(Da)and Peclet(Pe)number.For high Pe number a small conversion of reactants into products is obtained at the reactive surface,but the overall flux of products is high;moreover,a fast saturation of the conversion of reactants to products is obtained for high Da numbers.The trade-off for setting the Pe and Da numbers depends on the specific application and the technologies used in the micro-device(e.g.,sensitivity of the detector,cost of reactants). 展开更多
关键词 Lattice Boltzmann MULTI-COMPONENT diffusion-reaction
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混凝土中氯盐-硫酸盐耦合侵蚀的化学-损伤-传输模型研究进展 被引量:13
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作者 王鹏刚 莫芮 +3 位作者 隋晓萌 田砾 徐俊 金祖权 《硅酸盐学报》 EI CAS CSCD 北大核心 2022年第2期512-521,共10页
服役于氯盐和硫酸盐耦合环境的钢筋混凝土结构,很容易因为氯盐和硫酸盐的侵蚀引起性能退化。本文从氯盐和硫酸盐的侵蚀机理出发,系统地分析了硫酸盐侵蚀造成混凝土损伤前后氯离子和硫酸根离子的扩散-结合过程。基于经典的扩散-反应模型... 服役于氯盐和硫酸盐耦合环境的钢筋混凝土结构,很容易因为氯盐和硫酸盐的侵蚀引起性能退化。本文从氯盐和硫酸盐的侵蚀机理出发,系统地分析了硫酸盐侵蚀造成混凝土损伤前后氯离子和硫酸根离子的扩散-结合过程。基于经典的扩散-反应模型以及化学-损伤-传输理论框架,详细阐述离子活度、环境温湿度、微观结构、钙溶蚀等因素对化学-损伤-传输体系的影响,并从热力学角度介绍了氯离子和硫酸根离子耦合传输的热力学模型。基于上述分析,对目前研究存在的问题进行了展望。 展开更多
关键词 混凝土 氯盐-硫酸盐 扩散-反应 化学-损伤-传输体系
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生物膜动力学的研究现状与展望 被引量:6
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作者 陈黎明 柴立和 《力学进展》 EI CSCD 北大核心 2005年第3期411-416,共6页
生物膜法作为一种高效的废水处理工艺已获得到了广泛的工程应用.生物膜的形成、结构及其动力学特性对废水处理效果至关重要.本文综述了生物膜的形成过程及其动力学模型的研究进展,阐述了最近十几年来实验研究中的新发现和新方法,最后展... 生物膜法作为一种高效的废水处理工艺已获得到了广泛的工程应用.生物膜的形成、结构及其动力学特性对废水处理效果至关重要.本文综述了生物膜的形成过程及其动力学模型的研究进展,阐述了最近十几年来实验研究中的新发现和新方法,最后展望了将来的研究方向. 展开更多
关键词 生物膜 动力学 反应-扩散模型 元胞自动机 分形 动力学模型 生物膜法 展望 废水处理工艺 现状
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ZSM-5分子筛结构对苯烷基化反应性能影响的数值模拟研究
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作者 黄静茹 陈佳轩 +4 位作者 张群锋 阮晋 朱来 叶光华 周兴贵 《化工学报》 EI CSCD 北大核心 2024年第7期2544-2555,共12页
以ZSM-5分子筛催化苯和乙烯烷基化为体系,建立并验证了一种三维各向异性扩散-反应数学模型,该模型考虑了分子筛形貌、孔结构和扩散各向异性的影响。模拟发现当分子筛颗粒体积和abc轴尺寸保持不变时,改变分子筛形貌并不会显著影响其表观... 以ZSM-5分子筛催化苯和乙烯烷基化为体系,建立并验证了一种三维各向异性扩散-反应数学模型,该模型考虑了分子筛形貌、孔结构和扩散各向异性的影响。模拟发现当分子筛颗粒体积和abc轴尺寸保持不变时,改变分子筛形貌并不会显著影响其表观活性,因而该情况下无须调控分子筛形貌;而当分子筛颗粒体积不变时,仅缩短b轴尺寸才能显著降低扩散阻力,提高催化剂表观活性,因而合成ZSM-5分子筛时缩短b轴尺寸最有利于扩散和反应。在分子筛颗粒中引入大孔可显著提高分子筛催化剂利用率和表观活性,保持大孔孔隙率不变时,减小大孔孔径更有利。存在最优大孔孔隙率以平衡扩散阻力和活性材料含量,当分子筛粒径4μm、大孔孔径300 nm时,最优大孔孔隙率0.16,对应最高表观反应速率80.5 mol/(m^(3)·s)。另外,由于分子筛内扩散各向异性的影响,当大孔取向平行于c轴时最有利。结果可为苯和乙烯烷基化ZSM-5分子筛催化剂乃至其他分子筛催化剂的设计优化提供一定的理论指导。 展开更多
关键词 苯烷基化 ZSM-5分子筛 扩散-反应模型 孔道 扩散各向异性 颗粒形貌
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