有机物性估算系统OPES微机版本的研制（Ⅱ）软件的开发与特性

DEVELOPMENT OF A PC VERSION OF ORGANIC PHYSICAL PROPERTY ESTIMATION SYSTEM(OPES) (Ⅱ)The Software

本文主要介绍有机物性估算系统ＯＰＥＳ（ＯｒｇａｎｉｃｐｈｙｓｉｃａｌＰｒｏｐｅｒｔｙＥｓｔｉｍａｔｉｏｎＳｙｓｔｅｍ）微机版本的软件特性。ＯＰＥＳ的总体结构采用将输入、输出与物性估算程序完全分离的策略：实现了系统的有效分解；物性估算程序的进一步分解则有效地解决了在ＤＯＳ环境下开发大型应用程序所面临的内存使用问题；标准化模块的设计思想既提高了软件的开发效率，又方便了今后软件的维护。本文从基础物性数据库检索方法的选择、用户界面的灵活性与智能性、系统的透明性、系统的健壮性等方面介绍了ＯＰＥＳ的使用功能。＊Ｃｏｍｐｏｎｅｎｔ：１＊２４Ｏ５Ｃ３Ｈ３Ｎ１Ｏ７－１３－１（依次是：丙烯腈的ＩＤ号、分子式、ＣＡ登录号）ＣＨ２＝ＣＨＣ＊Ｎ（丙烯腈的ＯＣＳＣＥ线性码）ａｃｒｙｌｏｎｉｔｒｉｌｅ（丙烯腈的英文名）Ｔ２（温度点数为２，温度分别是２９３。１５Ｋ，４５０．００Ｋ）２９３．１５Ｋ４５０．００ＫＰＯ（没有输入压力，压力点数为０）ＰＨ２（相态为液态）ＰＯ３（极性类别是强极性）ｂａｓｉｃｄａｔａｏｆｃｏｍｐｏｎｅｎｔＮｏ．１（从基础数据库中查到的数据）ＳＴＲＣＨ２＝ＣＨＣ＊ＮＲＭ５３．０６００（ｇ／ｍｏｌ）Ｓ（分子量，质量码Ｓ?

This paper introduces a commercial PC version of OPES (Organic physical Property Estimation System)from the software point of view.The software strcture is decomposed by separating input and output from the prediction program. The prediction program is further decomposed to meet the memory limit of DOS. The standarized modular design facilitates both the development and maitainence of OPES. The fuuction of OPES is illustrated by introducing the retrieval modes design of basic property data base, the intelligent user interface, the provision of detailed message to monitor the entire estimation process, the effort to improve the robustness of the program.