四氯化碳过程助剂及其替代技术的应用与发展现状

简要介绍了破坏臭氧物质的主要品种、用途和国家淘汰计划,着重介绍了四氯化碳在过程助剂领域中的主要用途、用量以及替代技术的开发现状和趋势,指出了研究四氯化碳转化技术的紧迫性、重要性和选择转化反应需要考虑的因素。     

A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS

A new approach to the computation of entropy-related properties of fluids has been pre-sented.Application of the new technique to hard sphere fluids shows that it is capable of providingreliable estimates of such properties as the chemical potential and Helmholtz free energy,even athigh density where other existing methods are hardly applicable.The chemical potential of an infinitedilute component in hard sphere systems has been estimated,and compared with that calculated fromthe Carnahan-Starling equation.     

乙睛、丙烯睛、水的三元共沸蒸馏

兰化公司石油化工厂丙烯腈车间系1965年从西德引进,采用(?)SW流程。丙烯氨氧化应在固定床反应器中进行。反应产物经酸洗中和及水吸收后得到粗丙烯腈,再经过氰醇缩合反应除去醛、酮等含氧杂质并蒸出氰氢酸后,余下的主要组成为丙烯腈、乙腈和水。在萃取蒸馏塔(D-11,图1)中用水萃取乙腈;塔顶得到脱乙腈后的丙烯腈,在塔D-15中进一     

高密度及多组元方阱位能混合物流体的计算机Monte Carlo模拟

<正>流体的热力学宏观性质由其微观结构所支配,因此许多研究者用计算机Monte Carlo模拟(MC)或分子动力学模拟(MD)方法,力求得到流体的微观结构的真实图象,并据此建立推算或预测流体宏观性质的热力学模型.     

CORRELATION OF DIFFUSION COEFFICIENTS FOR LIQUIDS AND DENSE FLUIDS WITH TEMPERATURE AND PRESSURE

On the basis of the free volume theory and activation energy concept,a fundamental equation whichtakes into account the effects of temperature and pressure has been developed.By introducing differentexpressions for the free volume and activation energy,several equations for fluid diffusion coefficients were derivedaccordingly.With the van der Waals free volume and intermal energy formula,a three-parameter model for fluiddiffusion coeffficients at moderate pressure was obtained.The grand average absolute deviation percent of 345data points (44 systems)for self-and infinite dilute inter-diffusivities is 2.32,against the results of the model ofCohen and Turnbull,4.13.In particular,by means of the modified Carnahan-Starling free volume equation,afour-parameter model with average abosolute deviation percent 2.64(30 systems,644 data points)for theestimation of dense fluid inter-and self-diffusivities at high pressures and in supercritical conditions was derived.The derived model is superior to the method of L     

H2, CO, N2, O2和CH4在碳膜中的扩散

Diffusion of pure H2, CO, N2,O2 and CH4 gases through nanoporous carbon membrane is investigated by carrying out non-equilibrium molecular dynamics （NEMD） simulations. The flux, transport diffusivity and activation energy for the pure gases diffusing through carbon membranes with various pore widths were investigated. The simulation results reveal that transport diffusivity increases with temperature and pore width, and its values have a magnitude of 10^-7 m^2·s^-1 for pore widths of about 0.80 to 1.21 nm at 273 to 300 K. The activation energies for the gases diffusion through the membrane with various pore widths are about 1-5 kJ·mol^-1, The results of transport diffusivities are comparable with that of Rao and Sircar （J. Membr. Sci., 1996）, indicating the NEMD simulation method is a good tool for predicting the transport diffusivities for gases in porous materials, which is always difficult to be accurately measured by experiments.     

气液色谱法测定稀溶液的汽液平衡工作方程的改进

针对稀溶液的相平衡的特点,提出了适用于气液色谱法测定模型的稀溶液活度系数表达式。将稀溶液汽液平衡关系引入色谱测定方程中,得到大为简化的工作方程,计算结果与原方程吻合用上述处理方法,分析了考虑压力影响的Valentin和Guiochon的色谱测定方程。     

汽液相平衡计算中活度系数法简评

本文简要评述了汽-液相平衡中估算和预测活度系数的方法的进展。对目前流行的局部组成模型,讨论了其分布函数和晶格理论,并为建立新的模型,介绍了计算机模拟结果。着重讨论了很多学者在提出具有多重推算功能的模型时所遇到的困难。最后指出:对于理论有效活度系数模型的建立,各种数据的测定、收集、编撰,无论是现在还是将来,都至关重要。     

表面活性剂对二氧化硅空心微球结构的影响

分别在阳离子和阴离子两种不同类型表面活性剂的存在下,用正硅酸乙酯(TEOS)为硅源包覆纳米尺度的碳酸钙颗粒,去除表面活性剂和碳酸钙,得到了二氧化硅空心微球。用TEM、XRD及低温氮吸附等测试手段对这类材料进行了表征,研究了表面活性剂对样品结构的影响。结果表明,在合成中加入表面活性剂,使二氧化硅空心微球的球壳上出现了介孔相,改善了样品的孔结构。空心微球的BET比表面积为399～898m2/g,明显高于未加表面活性剂的样品。