用前沿基础研究中的重大成就振兴老工业基地——论发展化学化工数据应用软件产业的可行性  

Revitalizing old industrial bases by using very important achievement in the leading basic research,on the feasibility to develope application,software industry of physical properties data in chemistry and chemical engineering

作　　者：张克武[1] 张宇英[1] 

机构地区：[1]东北师范大学化学学院

出　　处：《黑龙江大学自然科学学报》2005年第1期1-4,共4页Journal of Natural Science of Heilongjiang University

基　　金：国家自然科学基金资助项目(29746002);吉林省应用基础基金资助项目;首钢总公司赞助

摘　　要：阐明了当前国际科技界化学化工物性数据软件普遍存在的理论基础贫乏导致:估算公式的计算质量低下。文中以氩模型微分方程和气体不平衡状态理论方程及有机分子的半金属结构理论为指导,以已经创立的 10个价值重大的工程物性理论方程为基础进一步开拓,创立高精度,普适性优异,有很强的国际竞争力的新型化学化工数据软件商品体系,逐步形成规模经济。That lack of theoretical basis leads to the generally existing defects of data software of physical properties in international science and technology at present was proposed, and accuracy of the results of most of the estimation methods were reduced. One of the most key criterions in judging whether software commodity application in chemistry and chemical engineering is good or bad is the use of consummate theoretical method. A new commodity system of data software of physical properties is presented under the guidance of differential equation of argon model, theoretical equation of nonequilibrium state of gases, and semi-metal structure model of organic molecules, based on ten theoretical equations that have great significance in engineering physical properties. It has high accuracy, excellent generality, and strong international competitive power.

关 键 词：国际化学化工应用软件的缺陷 氩模型理论 重大成就 气体不平衡状态理论方程 

分 类 号：O659.33[理学—分析化学]