专家系统在化工中的应用进展

本文综述了近年来专家系统在化工领域的应用状况，并指出今后的发展趋势。     

Use of chemical variation and predation as plant defenses byEncelia farinosa against a specialist herbivore

Larvae of the monophagous herbivore,Trirhabda geminata, selectively eat particular plants and plant parts of its natural host,Encelia farinosa. Measurements of leaf damage and larval positions on branches through time support this observation. Time-lapse movie photography revealed that larvae are sufficiently mobile to search most of a plant in a 48-hr period and that aggregations were the result of larval activity and not directly the result of oviposition. Experiments withT. geminata larvae on artificial diets containing a range of natural concentrations of chemical extracts fromE. farinosa leaves showed that the larvae grew significantly slower and had a lower overall survivorship at the high concentration. Combining the results of all choice tests, larvae appeared unable to distinguish between high- and low-concentration agar diets. Considered individually, larval preferences for natural production concentrations changed as the season progressed. Early-season larvae preferred low-concentration leaves, while late-season larvae preferred high-concentrations. Measurements of chemical and nitrogen content of leaves selected by larvae in the field confirmed this pattern. Percent parasitism in field-collected larvae increased with season as the larval population decreased. This combination of slowed growth and increasing parasitism and predation is a putative defense strategy ofEncelia farinosa to prevent adaptation by a specialist herbivore to the total range of compounds elaborated.     

铂与氢、水和苯分子相互作用的量子化学研究

采用量子化学程序Gaussian98(A.9)从头算的B3LYP方法，全优化计算铂对氢、水和苯的化学吸附作用，得到了3种相关络合物PtX、PtXX和Ptxxx(X=H，H2O或C6H6)的平衡几何构型和电子结构信息，并探讨了这些络合物的成键性质，以及苯环与铂原子之间的分子轨道作用性质。结果表明，苯环与铂原子之间有很强的成键作用，并随着游离氢原子和水分子的参与，作用强度有很大变化。苯分子吸附在金属铂上，它的芳香性得到不同程度的降低，苯环被活化，苯环与铂原子之间形成η^2型π键络合物；水参与作用后，苯环与铂原子之间形成σ络合物；氢和水同时参与作用后，苯环与铂原子之间仅有很弱的π轨道作用。     

埃及Ain Sukhna Ezz带钢厂的电弧炉

埃及Ain Sukhna Ezz带钢厂的电弧炉是达涅利公司建造的最大的电弧炉之一,由于可选用多种入炉原料,采用最优化熔炼和精炼方法,可在电弧炉上以转炉生产成本生产转炉优质钢种.     

活性碳和5A分子筛的吸附特性及其在真空获得中的作用

评述了活性碳和５Ａ分子筛的吸附等温线及其在真空佩温绝热夹层真空获得中的作用。分析了真空夹层抽真空除气时用Ｎ＿２气置换以及用“多次吸附－脱附Ｎ＿２气”方法活化吸附剂等先进工艺的机理。论述了根据吸附剂吸水的吸附等温线，合理确定活化工艺条件的方法。     

石化行业自动化控制仪表常见故障分析及其处理

介绍化工生产过程中仪表故障及其处理措施。     

电导法测定乙酸解离常数实验数据处理软件设计

介绍了用电导法测定乙酸解离常数的实验原理和步骤,给出了用计算机对电导法测定乙酸解离常数的实验数据进行处理的软件设计方法,同时给出了用Visual FoxPro 6.0编写电导法测定乙酸解离常数的处理软件的基本结构和部分程序代码。     

关于新建炉EDTA低浓度清洗的探讨

阐述了EDTA清洗锅炉的基本原理,低浓度清洗新建炉的工艺、方法及控制要点,EDTA低浓度清洗与协调EDTA清洗的经济性比较,为新建炉EDTA低浓度清洗探索了方向。     

裂纹对石墨烯拉伸力学性能影响的数值仿真

为研究裂纹对石墨烯力学性能的影响,以锯齿型石墨烯为研究对象,基于分子动力学方法,采用Tersoff势函数分析裂纹长度对石墨烯拉伸力学性能的影响以及含有裂纹的石墨烯在不同应变率下的拉伸变形破坏过程.结果表明,裂纹长度的增加大大减小石墨烯的抗拉强度和抗拉应变,对弹性模量有一定影响;裂纹降低石墨烯的抗拉应变对应变率的敏感性,但对于含有裂纹的石墨烯,仍可以增大加载速率来提高石墨烯的抗拉性能.     

Viscosities of nonelectrolyte liquid mixtures. I. binary mixtures containing p-dioxane

Viscosity measurements are reported for p-dioxans with cyclohexane, n-hexane, benzene, toluene, carbon tetrachloride, tetrachloroethane, chloroform, pentachloroethane, and ethyl acetate at 303.15 K. Excess Gibbs energies of activation G ^*E of viscous flow have been calculated with Eyring's theory of absolute reaction rates. The deviations of the viscosities from a linear dependence on the mole fraction and values of G ^*E for binary mixtures have been explained in terms of molecular interactions between unlike pairs. The Prigogine-Flory-Patterson theory has been used to estimate the excess viscosity, ln , and corresponding enthalpy ln _H, entropy ln _S, and free volume ln _v terms for binary mixtures of p-dioxane with cyclohexane, n-hexane, benzene, toluene, carbon tetrachloride, and chloroform. Estimates of excess viscosities from this theory for p-dioxane with benzene, toluene, and carbon tetrachloride are good, while for the other three mixtures they are poor. The local-composition thermodynamic model of Wei and Rowley estimates the excess viscosity quite well even for p-dioxane mixtures with cyclohexane and n-hexane.