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LaNi_5和LaNi_(4.7)Al_(0.3)柱内氕氘排代模拟
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作者 陈虎翅 陆光达 +1 位作者 李赣 王佑智 《原子能科学技术》 EI CAS CSCD 2004年第6期507-511,共5页
假设排代过程受表面反应控制和气相中H2与D2快速达到反应平衡,建立了流速和温度恒定条件下LaNi5和LaNi4.7Al0.3柱内氕排代氘的一维数学模型。该模型基于分子碰撞理论,考虑了分离因子对氢同位素排代的影响。模型中的气-固相同位素交换几... 假设排代过程受表面反应控制和气相中H2与D2快速达到反应平衡,建立了流速和温度恒定条件下LaNi5和LaNi4.7Al0.3柱内氕排代氘的一维数学模型。该模型基于分子碰撞理论,考虑了分离因子对氢同位素排代的影响。模型中的气-固相同位素交换几率为可变参数,其余参数使用了文献值或实验值。计算了LaNi5和LaNi4.7Al0.7柱内氕排代氘及LaNi5柱内氘排代氕过程中流出端氢同位素各组分丰度随时间的变化关系并与实验结果进行了对照。结果表明:当同位素交换几率为2.96×107时,根据数学模型获得的排代流出曲线与实验结果具有良好一致性,该模型可恰当描述金属氢化物柱内氢同位素的排代行为。 展开更多
关键词 排代模拟 镍化镧 反应平衡模型 分子碰撞
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黑钨矿有效沉淀机制:CO_2逃逸 被引量:4
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作者 刘向冲 张德会 《地质力学学报》 CSCD 2019年第1期19-26,共8页
黑钨矿是石英脉钨矿床的主要矿石矿物,其沉淀机制一直存在争议。CO_2逃逸能否造成黑钨矿有效沉淀尚缺乏定量模型的评价。文章建立了W-Fe-Cl-Na-O-C-H体系的反应平衡模型,涉及22种组分和16个化学反应;相关热力学参数来自SUPCRT数据库。... 黑钨矿是石英脉钨矿床的主要矿石矿物,其沉淀机制一直存在争议。CO_2逃逸能否造成黑钨矿有效沉淀尚缺乏定量模型的评价。文章建立了W-Fe-Cl-Na-O-C-H体系的反应平衡模型,涉及22种组分和16个化学反应;相关热力学参数来自SUPCRT数据库。模型计算结果表明,pH与流体压力呈负相关关系,而钨溶解度与流体压力呈正相关关系;当成矿流体压力从静岩压力降至静水压力水平,钨溶解度降幅可达到27%~47%,降幅与温度和深度成正比。因而,降压造成的CO_2逃逸是黑钨矿沉淀的有效机制之一。 展开更多
关键词 黑钨矿 沉淀机制 CO2逃逸 平衡反应模型
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Methodology for Design of Reactive Distillation Column and Kinetics for Isoamylene Etherification Catalysed by Amberlyst 35 被引量:1
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作者 Wu Yanli Li Wenying +1 位作者 Li Qiang Feng Jie 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2016年第4期128-136,共9页
Isoamylene from the Fischer-Tropsch syncrude can be transformed to valuable fuel oxygenate additives through an equilibrium limited etherification reaction with methanol. A reactive distillation process is established... Isoamylene from the Fischer-Tropsch syncrude can be transformed to valuable fuel oxygenate additives through an equilibrium limited etherification reaction with methanol. A reactive distillation process is established to increase isoamylene conversion. Facing the challenge of improving product purity at the same time, an equilibrium stage model based design methodology is proposed and illustrated step-by-step for converting the Fischer-Tropsch C_5 olefins to tert-amyl methyl ether(TAME) process by using Aspen Plus. Under the guide of the proposed methodology, the design leads to a TAME product purity of higher than 95% and an isoamylene conversion of higher than 90%. The etherification kinetics over Amberlyst 35 is also studied within a temperature range of 60 ℃ to 75 ℃ to shed more light on the feasibility of process development. The methodology provides an effective reactive distillation column design to achieve the target reactant conversion and product purity simultaneously. 展开更多
关键词 Amberlyst 35 design methodology etherification isoamylene reactive distillation column
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Simulation of Suspension Catalytic Distillation for Synthesis of Linear Alkylbenzene 被引量:3
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作者 王二强 李成岳 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2003年第5期520-525,共6页
Suspension catalytic distillation (SCD) has been developed recently as an innovative technology in catalytic distillation. In this paper, a brief introduction to SCD is given and an equilibrium stage (EQ) modei is dev... Suspension catalytic distillation (SCD) has been developed recently as an innovative technology in catalytic distillation. In this paper, a brief introduction to SCD is given and an equilibrium stage (EQ) modei is developed to simulate this new process for synthesis of linear alkylbenzene (LAB) from benzene and 1-dodecene. Since non-ideality of this reaction systern is not strong, EQ modei developed could be applied to it successfully. Simulation results agree well with experimental data, and indicate some characteristics of SCD process as an advanced technology for the production of LAB: 100% conversion of olefins, low temperature (90-100℃) and low benzene/olefin mole ratio. 展开更多
关键词 suspension catalytic distillation equilibrium stage model linear alkylbenzene
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Study on Hydrolysis of Methyl Acetate in a Catalytic Distillation Column 被引量:3
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作者 王成习 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2001年第4期382-387,共6页
A nonequilibrium stage model was used to simulate countercurrent multicomponent catalytic distillation processes for methyl acetate hydrolysis. Computations of stage efficiencies or height equivalent to a theoretical ... A nonequilibrium stage model was used to simulate countercurrent multicomponent catalytic distillation processes for methyl acetate hydrolysis. Computations of stage efficiencies or height equivalent to a theoretical plate (HETP) were entirely avoided by this model. The consistency of simulated results and experimental data in conversions and concentration of each component along a column indicates that the model predicts the actual process well. The influences of operating parameters on hydrolytic conversions, such as feed molar ratios, feed locations, feed and reflux rates, heights of reactive and stripping sections, were analyzed adequately by simulating calculations. A good operating mode was then obtained, which is helpful to the development of a new process. 展开更多
关键词 methyl acetate HYDROLYSIS catalytic distillation nonequilibrium stage model
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相反电荷聚电解质复合的模拟
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作者 谢小莉 王朝阳 《化学工程师》 CAS 2011年第10期20-24,共5页
基于刚性聚电解质复合物模型,推导了体系中各自由离子的浓度,提出包括复合与反离子凝聚竞争的平衡反应模型,模拟了相反电荷聚电解质在盐水介质中的复合与解离过程。结果表明,复合过程伴随着聚电解质双电层厚度的压缩;客主体聚电解质的... 基于刚性聚电解质复合物模型,推导了体系中各自由离子的浓度,提出包括复合与反离子凝聚竞争的平衡反应模型,模拟了相反电荷聚电解质在盐水介质中的复合与解离过程。结果表明,复合过程伴随着聚电解质双电层厚度的压缩;客主体聚电解质的电荷摩尔比为1时,复合达到饱和,与荧光各向异性比在χG为1时达平台的实验结果所反映的一致;离子强度增大复合度减小。 展开更多
关键词 聚电解质复合 平衡反应模型 模拟 荧光
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Simulation calculation of solubility of insoluble compound M_mA_a in complex system
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作者 杨天足 张杜超 吴江华 《Journal of Central South University》 SCIE EI CAS 2012年第4期892-896,共5页
A simulation calculation model for the solubility of insoluble compound MmAa in complex system was established.According to coordination equilibrium principle,relevant dissociation reaction,complexation reaction,self-... A simulation calculation model for the solubility of insoluble compound MmAa in complex system was established.According to coordination equilibrium principle,relevant dissociation reaction,complexation reaction,self-complexation reaction and protonation reaction during insoluble compound dissolving were considered and then the mass balance equations about solubility calculation were obtained.In the case analysis,the solubility of silver chloride in ammonia system was obtained by simulation calculation,and curved surface charts of thermodynamic equilibrium about the total concentration of silver ions,pH and concentration of ammonia ions were drawn correspondingly.The results show that under the conditions of room temperature and 6 mol/L ammonia concentration,the calculated solubility value of silver chloride(34 g/L) is close to the actual value(31 g/L),demonstrating that this model is suitable for solubility calculation of insoluble compound MmAa in the complex system. 展开更多
关键词 complex system insoluble compound SOLUBILITY calculation model
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Effect of hydrogen combustion reaction on the dehydrogenation of ethane in a fixed-bed catalytic membrane reactor 被引量:2
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作者 Masoud Hasany Mohammad Malakootikhah +1 位作者 Vahid Rahmanian Soheila Yaghmaei 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2015年第8期1316-1325,共10页
A two-dimensional non-isothermal mathematical model has been developed for the ethane dehydrogenation reaction in a fixed-bed catalytic membrane reactor. Since ethane dehydrogenation is an equilibrium reaction,removal... A two-dimensional non-isothermal mathematical model has been developed for the ethane dehydrogenation reaction in a fixed-bed catalytic membrane reactor. Since ethane dehydrogenation is an equilibrium reaction,removal of produced hydrogen by the membrane shifts the thermodynamic equilibrium to ethylene production.For further displacement of the dehydrogenation reaction, oxidative dehydrogenation method has been used.Since ethane dehydrogenation is an endothermic reaction, the energy produced by the oxidative dehydrogenation method is consumed by the dehydrogenation reaction. The results show that the oxidative dehydrogenation method generated a substantial improvement in the reactor performance in terms of high conversions and signi ficant energy saving. It was also established that the sweep gas velocity in the shell side of the reactor is one of the most important factors in the effectiveness of the reactor. 展开更多
关键词 Catalytic membrane reactor Mathematical modeling Ethane dehydrogenation Hydrogen combustion
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干法粉煤加压气化最优操作参数的模拟研究 被引量:2
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作者 张聪 李新 +1 位作者 李芳芹 胡远涛 《煤气与热力》 2012年第6期21-24,共4页
采用ASPEN PLUS软件建立了干法粉煤加压气化模型,对模型进行了检验。利用模型对大同峪口煤的干法粉煤加压气化进行了模拟,分析了气化温度、气化压力、氧煤比对粗煤气中H2+CO体积分数的影响,得到最优操作参数。
关键词 干法粉煤加压气化 气化温度 气化压力 氧煤比 反应平衡模型
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斜切径向旋流燃烧室主燃区光学测量与特性分析 被引量:6
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作者 陈敏 宋文艳 +2 位作者 肖隐利 陈亮 李建平 《航空动力学报》 EI CAS CSCD 北大核心 2013年第8期1727-1735,共9页
针对斜切径向旋流环形燃烧室模型,采用可调谐二极管激光吸收光谱(TDLAS)、相干反斯托克斯喇曼光谱(CARS)光学测量手段,在模化状态(Case 2)下,对燃烧室主燃区进行温度测量,分别得到了主燃区内12个点的温度和沿两条路径的积分温度.使用Flu... 针对斜切径向旋流环形燃烧室模型,采用可调谐二极管激光吸收光谱(TDLAS)、相干反斯托克斯喇曼光谱(CARS)光学测量手段,在模化状态(Case 2)下,对燃烧室主燃区进行温度测量,分别得到了主燃区内12个点的温度和沿两条路径的积分温度.使用Fluent 12.0对Case 2进行数值模拟,分别使用两种非预混燃烧模型:平衡化学反应模型(EM)和稳态层流小火焰(SLF)模型.通过将两种不同燃烧模型的计算结果与TDLAS,CARS试验测量数据作对比验证,发现EM计算得到的温度更高,并与试验测量温度更符合,其中与CARS测量的误差小于6%.在试验验证的基础上,完成燃烧室在冷流状态(Case 1)下的计算,分析主燃区的气流组织和主燃孔射流对回流区的影响;利用EM计算分析燃烧室主燃区在全压状态(Case 3)下燃料分布、温度场、组分分布和性能参数,如燃烧室的燃烧效率为0.97、出口温度分布系数为0.312等,较为全面反映了燃烧室内气流流动换热和燃烧现象. 展开更多
关键词 可调谐二极管激光吸收光谱(TDLAS) 相干反斯托克斯喇曼光谱(CARS) 平衡化学反应模型 稳态层流小火焰面模型 主燃区
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Prey-predator model with functional response for optimal harvesting incorporating prey refuge
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作者 G. S. Mahapatra P. Santra 《International Journal of Biomathematics》 2016年第1期265-285,共21页
This paper presents a prey-predator model considering the predator interacting with non-refuges prey by class of functional responses. Here we also consider harvesting for only non-refuges prey. We discuss the equilib... This paper presents a prey-predator model considering the predator interacting with non-refuges prey by class of functional responses. Here we also consider harvesting for only non-refuges prey. We discuss the equilibria of the model, and their stability for hiding prey either in constant form or proportional to the densities of prey population. We also investigate various possibilities of bionomic equilibrium and optimal harvesting policy. Finally we present numerical examples with pictorial presentation of the various effects of the prey predator system parameter. 展开更多
关键词 PREY-PREDATOR functional response prey refuge STABILITY bionomic equilib-rium optimal harvesting.
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The asymptotic stability model with for an SIQS epidemic diffusion
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作者 Yanling Li Lijing Zhang Gaihui Guo 《International Journal of Biomathematics》 2016年第1期287-300,共14页
In this paper, an SIQS epidemic model with constant recruitment and standard inci- dence is investigated. Quarantine is taken into consideration on the basis of SIS model. The asymptotic stability of the equilibrium t... In this paper, an SIQS epidemic model with constant recruitment and standard inci- dence is investigated. Quarantine is taken into consideration on the basis of SIS model. The asymptotic stability of the equilibrium to a reaction^diffusion system with homo- geneous Neumann boundary conditions is considered. Sufficient conditions for the local and global asymptotic stability are given by linearization and the method of upper and lower solutions and its associated monotone iterations. The result shows that the disease-free equilibrium is globally asymptotically stable if the contact rate is small. 展开更多
关键词 Reaction diffusion system SIQS model stability.
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