异丙苯合成反应体系的热力学分析

利用矩阵理论确定了异丙苯合成反应体系的独立化学反应和依赖化学反应,利用热力学原理建立了反应体系中独立化学反应的焓变与Gibbs自由能变化与反应温度的关系,计算了体系中独立化学反应在不同温度下的平衡常数,计算了在0.1 MPa下,不同温度下体系中独立化学反应的平衡转化率与反应物物质的量的关系,分析了异丙苯与正丙苯这一依赖反应的化学平衡,发现反应温度的提高有利于异丙苯向正丙苯转化,因此,降低反应温度有利于降低体系中正丙苯的浓度,提高异丙苯的产品质量。     

平衡纵剖面数值试验及其对防洪的影响研究

本文采用一维非恒定流非均匀沙的水沙数学模型，以长江中游螺山汉口河段为背景，进行了根化数值模拟试验，分析了该概化河段平衡纵剖面的变化规律及其与上游来水来沙条件的关系，并和相应的理论公式进行了比较。在此基础上，对水沙条件发生较在变化时的平衡纵比降以及带来的对长江中下游防洪的影响进行了分析。     

Impurity Distribution Behavior in Caprolactam Extraction with Environmentally Benign Mixed Solvents

In a previous study a solvent mixture of heptane containing 40 mass % heptanol was selected as an alternative in the industrial extraction of caprolactam to replace benzene, toluene, or chlorinated hydrocarbons. This work reports the equilibrium distribution ratio of caprolactam and four model impurities of organic nature, namely, cyclohexanone, aniline, n‐methylcaprolactam, and cyclohexane‐carboxamide, comparing the mixed solvents with toluene as a reference. The resulting phase equilibria were interpreted using the equilibrium stage model. Based on these calculations it was found that, compared to toluene, the co‐extracted fraction of cyclohexanone and aniline was higher, that of n‐methylcaprolactam was comparable, and that of cyclohexane‐carboxamide was lower using the mixed solvent. Overall, the mixed solvent reduced the fraction of co‐extracted impurities by almost 10 %.     

间苯二酚溶剂萃取液液相平衡研究

测定了“醋酸正丁酯-间苯二酚(溶质)-盐水(含0.2质量分率NaCl)”三元系在24℃、101.33kPa下的液液相平衡数据并给出了三角相图,用Hand公式对相平衡数据进行了关联,获得了可供工业连续萃取过程设计使用的关联式。本研究将醋酸正丁酯和正丁醇作为溶剂萃取间苯二酚进行了对比,并指出:醋酸正丁酯优于正丁醇。     

Modelling of the extraction equilibrium of zinc from chloride solutions with tri-n-octylphosphine oxide

The extraction of zinc from chloride solutions with tri-n-octylphosphine oxide (TOPO) dissolved in benzene has been thermodynamically studied based on the law of mass action. A model employing the simplified Pitzer equations for stoichiometric activity coefficient estimations is found to be effective for the explanation and prediction of the distribution data, and the thermodynamic extraction constant is determined as log K_et = 5.16 ± 0.11 at 20°C.     

会计信息失真现象的博弈分析

在对现实进行合理假定的基础上建立了会计信息失真现象的有限完美信息动态博弈模型，并利用后退归纳法找到了五个满足不同条件的纳什均衡解。通过对均衡条件的分析，找出了导致会计信息失真的治理结构原因和法律制度因素，并提出了建设性的解决措施。     

Phase equilibrium in solutions of star-shaped macromolecules: an improved Okada-Numasawa model

The two-region Okada-Numasawa model for solutions of star-shaped polymers has been improved by means of a change in the integration order and introduction of a concentration-dependent and molar-mass-dependent Flory-Huggins interaction parameter (the second and third approximations of the Flory-Huggins theory). To overcome calculation difficulties, a special algorithm for computing coexistence curves of polymeric systems with an UCST has been used. The agreement between the experimental and calculated coexistence curves for the star-shaped polystyrene (PS)-cyclohexane system has been improved: the difference between T_cs is ∼0.33 K against ∼12 K as given by the original model.     

Calcium addition in straw gasification

The present work focuses on the influence of calcium addition in gasification. The inorganic-organic element interaction as well as the detailed inorganic-inorganic elements interaction has been studied. The effect of calcium addition as calcium sugar/molasses solutions to straw significantly affected the ash chemistry and the ash sintering tendency but much less the char reactivity. Thermo balance test are made and high-temperature X-ray diffraction measurements are performed, the experimental results indicate that with calcium addition major inorganic-inorganic reactions take place very late in the char conversion process. Comprehensive global equilibrium calculations predicted important characteristics of the inorganic ash residue. Equilibrium calculations predict the formation of liquid salt if sufficient amounts of Ca are added and according to experiments as well as calculations calcium binds silicon primarily as calcium silicates and less as potassium calcium silicates.     

Trace element evaporation during coal gasification based on a thermodynamic equilibrium calculation approach

Thermodynamic equilibrium calculations using the HSC-Chemistry program were performed to determine the distribution and mode of occurrence of potentially toxic and corrosive trace elements in gases from coal gasification processes. The influence of temperature, pressure and gas atmospheres on equilibrium composition was evaluated. In these reducing conditions, the behaviour of the trace elements is complex, but some form of organization can be attempted. Elements were classified into three groups. Group A includes those elements that, according to thermodynamic data at equilibrium, could probably be condensed in coal gasification. Mn is classified in this group. Group B contains those elements that could be totally or partially in gas phase in gas cleaning conditions, and can be divided into two subgroups, depending on whether the cleaning conditions are hot or cold. Co, Be, Sb, As, Cd, Pb, Zn, Ni, V, Cr are elements in this group. Group C contains those elements that could be totally in gas phase in all the possible conditions, including flue gas emissions. Se, Hg and B are the elements that make up this group.     

Thermodynamic state of reinforced interpenetrating polymer networks

The free energies of mixing of two networks in the interpenetrating polymer network based on crosslinked polyurethane and poly(ester acrylate) have been determined by the vapour sorption method. It was established that the constituent networks in the IPN are not miscible. The introduction of fillers of different chemical nature increases the compatibility. The thermodynamic affinity of the fillers to the individual networks and IPN was estimated. It was established that when the free energy of interaction of one or both components of the IPN with the filler is negative, reinforcement leads to the formation of a compatible and equilibrium system. For fillers having no affinity to the polymers, compatibilization is observed, which is connected with slowing down of phase separation in the system in the presence of filler.