五氯吡啶的合成研究

以吡啶为原料，氯气为氯化剂，通过固定床催化反应合成了五氯吡啶。为此，在分析反应机理的基础上，分别以第Ⅱ、Ⅷ和IB族的金属盐类或其混合物为活性成分制备了一系列催化剂，并在493-663K、空速200—1200hr^-1、吡啶/氯气摩尔比(R)1：6—1：12范围内，对上述各催化剂性能进行考察。结果表明，Ba、Ca、La、Rh等金属的盐类混合物对本反应有较高的活性，收率高达95％，纯度96％(GC)。同时还获得了针对该催化剂适宜的工艺参数：温度590-650K，空速600-800hr^-1，R为8．5。     

甲基-酰基-萘在庚烷、辛烷和十二烷中溶解度的测定与关联

The solubilities of 2-methyl-6-acetylnaphthalene (2,6-MAN) and 2-methyl-7-acetylnaphthalene (2,7-MAN) in n-heptane, n-octane, and n-dodecane were measured, respectively, from 273.15 to 319.15 K using an analytical method. On the basis of the thermodynamics theory of solid-liquid equilibrium, a model was derived to relate the solubilities with temperature. Using the least square method, the parameters of the model, the fusion enthalpies △fusH and the Margules equation coefficients A12 and A21 of 2,6-MAN and 2,7-MAN in n-heptane, n-octane, and n-dodecane-were obtained by regressing the experimental data. The average deviation of the model was 1.70%.     

CO2在全氟羧酸离子交换膜内促进传质特性的研究

本文以全氟羧酸离子交换膜为支撑体、乙二胺(EDA)为活性络合剂、制备促进传质膜。在常用的工业条件下,测定了纯CO_2以及CO_2/N_2二元混合物在该膜内的渗透通量。实测结果表明,此膜对CO_2的促进因子可达13.8,而对CO_2/N_2的分离因子高达316。本文假设促进传质过程的控制步骤为气体在膜相的扩散,据此导出了相应的机理模型,该模型与实测结果吻合良好。     

Experimental Measurement and Correlation of the Solubility of Methyl-acetyl-naphthalene in n-Heptane,n-Octane,and n-Dodecane

1 INTRODUCTION 2-Methyl-6-acetylnaphthalene (2,6-MAN) is a type of white or pale yellow, powdery crystal, with a melting point of 332.15K. It is an important interme- diate[1] used for producing 2,6-naphthalene dicarbox- ylic acid (2,6-NDA), which has very extensive appli- cations in not only the light, electronic, and defense industries, but in many other areas. In particular, 2,6-NDA is an important monomer of liquid crystal polyester material (LCP) and polyethylene naphtha- lene-2…     

非晶态聚苯乙烯膜内气体吸收机理的研究

在本文设计的吸收装置内,测定了CH_4、C_2H_4等气体在非晶态聚苯乙烯膜(PS)内的吸收等温线,实验压力高达25atm,温度范围是35～115℃。用作者提出的普遍化吸收机理模型对本文实验数据进行了关联,结果表明其吻合程度良好。最后还对模型参数进行了讨论。     

纯气体在非晶态高分子膜内的吸收机理模型(Ⅱ)应用

对CO_2、CH_4、C_2H_4和C_2H_6等4种纯气体进行了吸收等温线的测试,通过数据表明在(Ⅰ)报中提出的吸收机理模型是普遍适用的,模型参数也能较好地与高分子和渗透分子的物性数据关联.     

纯磷脂单分子膜压缩过程中磷脂分子的构象和取向(英文)

On the basis of energy conservation law and surface pressure isotherm, the conformation energy changes of dipalmitoylphosphatidylcholine (DPPC) and dipalmitoylphosphatidylglycerol (DPPG) in pure phospholipid monolayer at the air/water interface during compression are derived. The optimized conformations of phospholipids at absolute freedom state are simulated by Gaussian 98 software. Based on following assumptions: (1)the conformation energy change is mainly caused by the rotation of one special bond; (2)the atoms of glycerol near the water surface are active; (3)the rotation is motivated by hydrogen-bond action; (4)the rotation of bond is inertial, one simplified track of conformational change is suggested and the conformations of DPPC and DPPG at different states are determined by the plots of conformation energy change vs. dihedral angle. The thickness of the simulated phospholipid monolayer is consistent with published experimental result. According to molecular areas at different states, the molecular orientations in the compressing process are also developed.     

2-甲基-6-乙酰基萘液相催化氧化反应动力学

In this paper,a kinetics model for the liquid-phase oxidation of 2-methyl-6-acetyl-naphthalene to 2,6-naphthalene dicarboxylic acid catalyzed by cobalt-manganese-bromide is proposed.The effects of the reaction temperature,catalyst concentration and ratio of catalyst on the time evolution of the experimental concentration for the constituents including raw material,intermediates and product are investigated.The model parameters are determined in a nonlinear optimization,minimizing the difference between the simulated and experimental time evolution of the product composition obtained in a semi-batch oxidation reactor where the gas and liquid phase were well mixed.The kinetics data demonstrate that the model is suitable to the liquid-phase oxidation of 2-methyl-6-acetyl-naphthalene to 2,6-naphthalene dicarboxylic acid.     

对苯二甲酸-丁二醇催化单酯化反应动力学(英文)

The chemical kinetics of the monoesterification between terephthalic acid (TPA) and 1,4-butanediol (BDO) catalyzed by a metallo-organic compound was studied using the initial rate method. The experiments were carried out in the temperature range of 463-483 K, and butylhydroxyoxo-stannane (BuSnOOH) and tetrabutyl titanate [Ti(OBu)4] were used as catalyst respectively. The initial rates of the reaction catalyzed by BuSnOOH or Ti(OBu)4 were measured at a series of initial concentrations of BDO (or TPA) with the concentration of TPA (or BDO) kept constant. The reaction orders of reagents were determined by the initial rate method. The results indicate that the reaction order for TPA is related with the species of catalyst and it is 2 and 0.7 for BuSnOOH and Ti(OBu)4 respectively. However, the order for BDO is the same 0.9 for the two catalysts. Furthermore, the effects of temperature and catalyst concentration are investigated, and the activation energies and the reaction rate constants for the two catalysts were deter-mined.     

纯气体在非晶态高分子膜内的吸收机理模型(Ⅰ)理论

提出了一个描述非晶态高分子膜结构特征的模糊数学模型.基于这一模型,作者认为,橡胶态膜内也存在“特征微孔”,并且比玻璃态膜更多.该两种膜的主要吸收机理都是“充孔”机理.运用分子热力学原理,导出了一个普遍化吸收机理模型.本模型假设,非晶态高分子膜内存在两种“格位”,它们对渗透分子的作用各不相同.适用于玻璃态膜的双方式吸收模型和适用于橡胶态膜的Henry定律在这一模型中得到了统一,模型参数也从分子数量级上获得了明确的解释.