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基团贡献法估算有机化合物临界温度的研究进展

         

摘要

临界温度是物质重要的物性数据之一,由于其测定工作难度较大,尤其不稳定物质的临界温度更难以精确测定,估算法成为研究物质临界温度的重要方法.综述了有机物临界温度的估算方法,主要介绍了Riedel法、Lydersen法、Ambrose法、Fedors法、Joback法、MXXC法、C-G法等十一种基团贡献方法的原理、优缺点及应用范围,并对这些方法进行比较和评述.利用这些方法对松节油组分及其衍生物中的α-蒎烯、Δ3-蒈烯、(+)-柠檬烯、伞花烃的临界温度进行估算比较,结果表明Joback、MXXC、Marrero-Pardillo、张克武-张宇英等方法用于该体系时相对误差在2.5%以下,而Lydersen、Ambrose和Wilson-Jasperson等方法的相对误差较大.最后对有机物临界温度基团贡献法的发展趋势进行了展望.%The critical temperature is one of the important physical properties of substances.Because it is difficult to be accurately measured,especially for the unstable substance,so that estimation method becomes an important method to study the critical temperature of the material.In this paper,a variety of methods for estimating the critical temperatures of organic compounds were reviewed,mainly intro-ducing the principles,advantages,disadvantages and application ranges of Riedel method,Lydersen method,Ambrose method,Fedors method,Joback method,MXXC method,C-G method and so on eleven methods,and these group contribution methods were compared.Moreover,these methods were used to estimate and compare critical temperatures of α-pinene,Δ3-Carene,(+ )-limonene and p -cymene in turpentine components and their derivatives.The results showed that the relative errors are less than 2.5% when Joback method,MXXC method,Marrero-Pardillo method,ZHANG Kewu-ZHANG Yuying method are applied to the system.However,the relative errors of Lydersen method, Ambrose method and Wilson-Jasperson method are bigger.Finally,the development trend of Group-contribution Methods for estimating critical temperatures of organic compounds was prospected.

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