摘要
纯物质的临界参数在描述流动相行为、预测物质性质、发展状态方程等方面都是非常重要的。临界参数的准确与否直接影响其它物性参数的估算结果。通过建立数学模型为缺少的临界参数进行预测估算,是人们获得临界参数的重要研究途径。本文对纯物质临界参数的估算方法进行了综述。主要介绍了其与其它物性相关联的估算方法、基团贡献法、基于液体状态方程的估算方法、定量结构性质关系法(QSPR法)等几类具有代表性的临界参数估算方法;并重点阐述了这些方法的原理、应用范围、优缺点及最近几年的进展情况;最后指出随着科学和计算机的快速发展,估算临界参数的方法也将不断完善和提高,具有更好的通用性和精确度,进而为化工流程模拟、工程设计计算、科研生产及应用研究提供更加可靠的数据。
The critical parameters of pure substances are very important in describing fluid phase behavior,predicting their properties,and developing the equation of state.The accuracy of critical parameters directly affects the estimation of other parameters.Through establishing the mathematical model for a limited number of critical parameters is an important research approach to obtaining critical parameters.A variety of estimation methods for critical parameters of pure substances are summarized,including the method of correlating the critical parameters with other properties,group contribution method,method based on liquid equation of state,quantitative structure property relationship（QSPR） method and several types of representative estimation methods of critical parameters are discussed in terms of principles,application ranges,advantages and disadvantages,and development in recent years.The development trend of the methods for estimation of critical parameters is discussed.
出处
《化工进展》
EI
CAS
CSCD
北大核心
2012年第9期1871-1877,共7页
Chemical Industry and Engineering Progress
关键词
临界参数
估算方法
基团贡献法
QSPR法
critical properties
estimation method
group contribution method
QSPR method
