用基团贡献法预测纯物质蒸气压

对应状态原理与基团贡献法结合，提出一个新的蒸气压估算方程（ＲＬＹＭ）。通过对烷烃、烯烃、炔烃、环烷烃、环烯烃、醇、环醇、酮、醚、芳烃、酚、萘在内的１７４种有机物质蒸气压实验数据的关联，获得了３０种基团的贡献参数值。新模型的预测精度优于现有的对应状态法，并且对高碳分子仍有较好的估算精度。总的关联误差小于１．１７％。     

Distinguished Scientific Awards for an Early Career Contribution to Psychology.

The Early Career Awards recognize the large number of excellent young psychologists. Recipients of this award may not have held a PhD for more than nine years. The areas considered in 1991 were animal learning and behavior, developmental, and personality. The winners for 1991 were Kent C. Berridge, Susan A. Gelman, and Randy J. Larsen. For each winner a citation, biography, and selected bibliography of their works are presented. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

2，6-萘二甲酸二甲酯在有机溶剂中溶解度的测定与关联

Solubility of dimethyl-2,6-naphthalene dicarboxylate in acetic acid, N,N-dimethylfonnamide, N,N-dimethyl acetamide, dimethyl sulphoxide, and N-methyl-2-ketopyrrolidine were determined using a dynamic method. The measured systems were correlated by UNIFAC group contribution method. A new main group （aromatic ester, ACCOO） was defined to express the activity coefficients of the aromatic ester. New interaction parameters of the ACCOO group were expressed as the first-order function of temperature and were determined from the experimental data. The calculated results for the new interaction parameters were satisfactory. The measured systems were also correlated with the Wilson and 2-h models, and the results were compared with those of the UNIFAC model.     

技术进步经济效益评价——中国长城铝业公司水泥厂产出增长中技术进步作用的评价

本文通过运用“生产函数法”、“增长速度方程”来定量分析技术进步在长城铝业公司水泥厂产出增长中的作用,从中找出该水泥厂生产经营过程中存在的问题及未来发展方向。     

期刊稿件网络采编系统的建立

《中国冶金》杂志社全面启用的科技期刊稿件采编系统是以Internet为载体，具有作者在线投稿、在线查询、上传校样、专家在线审理稿件、提交审稿意见、上传审改稿、编辑在线加工处理稿件等作用，完全实现了稿件从收稿到发稿的全程数字化管理，同时建立了数据齐全、操作简便的作者、审稿专家和稿件的数据库，改进了传统的操作方法和管理模式，提高了工作效率。杂志社采用该系统还可以进行网刊发布、管理以及期刊征订和发行处理。     

Study of viscosity of mono-, di-, and trialkylamines

Viscosities of several mono-, di-, and trialkylamines have been measured in the temperature range 298 to 333 K. It is observed that viscosities are highly dependent on shape, size, and association through H-bond or through dipole. Following the transition state theory, energy, Gibbs free energy, and entropy of activation of viscous flow have been calculated. The values of expansion energy for these liquids have also been calculated using free volume theory, and subsequently amines have been classified as volume-restrained or energy-restrained liquids. The group contribution method of Van Velzen, Cardozo, and Langenkamp for estimating viscosity has been examined with the present and literature data, and the new group contribution increments N _i and B _i for amines have been evaluated.     

Isobaric vapor—liquid equilibria for binary systems composed of methyl butanoate with ethanol and with propan-1-ol at 114.66 and 127.99 kpa

Vapor-liquid equilibrium data for the binary systems methyl butanoate/ethanol and methyl butanoate/propan-l-ol at pressures of 114.66 and 127.99 kPa are presented. Both mixtures yield an azeotrope, the compositions (ester) of which decrease quasi-linearly as the pressure increases. The experimental data for all the binary mixtures were fitted to a suitable equation and then used for comparison with predictions by ASOG and UNIFAC methods. These group contribution models give a good estimation of activity coefficients with an overall mean error less than 5% for all cases.     

Internal structure of coalitions in competitive and altruistic graphical coalitional games

This paper introduces a certain graphical coalitional game where the internal topology of the coalition depends on a prescribed communication graph structure among the agents. The game Value Function is required to satisfy four Axioms of Value. These axioms make it possible to provide a refined study of coalition structures on graphs by defining a formal graphical game and by assigning a Positional Advantage, based on the Shapley value, to each agent in a coalition based on its connectivity properties within the graph. Using the Axioms of Value the graphical coalitional game can be shown to satisfy properties such as convexity, fairness, cohesiveness, and full cooperativeness. Three measures of the contributions of agents to a coalition are introduced: marginal contribution, competitive contribution, and altruistic contribution. The mathematical framework given here is used to establish results regarding the dependence of these three types of contributions on the graph topology, and changes in these contributions due to changes in graph topology. Based on these different contributions, three online sequential decision games are defined on top of the graphical coalitional game, and the stable graphs under each of these sequential decision games are studied. It is shown that the stable graphs under the objective of maximizing the marginal contribution are any connected graph. The stable graphs under the objective of maximizing the competitive contribution are the complete graph. The stable graphs under the objective of maximizing the altruistic contribution are any tree.     

基于1H NMR测定和基团贡献法预测石油馏分的热化学性质

测定了两种原油 2 0个石油馏分的¹H NMR谱和氢、碳元素含量等结构参数 ,以及馏分的燃烧焓、蒸发焓等热化学性质 .假设每个石油馏分仅由CH₃ 、CH₂ 、CH、ACH和C这 5种简单基团构成 ,基于¹H NMR测定和元素分析结果解出石油馏分平均分子结构中的基团数目 ,再用纯有机物的基团贡献法预测石油馏分的燃烧焓、蒸发焓 ,预测值与实验数据吻合良好