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介绍了有机化合物物性估算系统软件的有机物性估算及模型选用,描述了其主要物性的估算模型及输入参数和适用范围。根据当前最新的物性研究成果,系统建立了基础物性数据库,并为大部分物性提供了多种估算模型,以予互相补充。在物性估算过程中,系统将显示出待估算物性的每种估算模型的适用范图、输入参数和估算精度等信息,用户可根据自己的实际情况选择一种或几种模型进行物性估算,迅速得到满意的计算结果。
The organic property estimation and model selection of the organic compound physical property estimation system software are introduced. The estimation models of the main physical properties, the input parameters and the applicable range are described. According to the latest research results of physical properties, the system has established a basic physical database, and provided a variety of estimation models for most of the physical properties in order to complement each other. In the process of physical property estimation, the system will display the applicable scope, input parameters and estimation accuracy of each estimation model to be estimated, and the user can select one or several models according to their actual conditions to estimate the properties quickly. Get satisfactory results.