A Systems Approach for Improved Accuracy of Thermophysical Properties in the DIPPR 801 Database: 1,n-Alkanediols as a Case Study

作者：Rowley R L^*; Wilding W V; Congote A; Giles N F

来源：Journal of Chemical and Engineering Data, 2014, 59(4): 1031-1037.

DOI：10.1021/je400747s

The effectiveness of chemical process designs and the reliability of mixture models are no better than the accuracy of the pure-chemical thermophysical properties used. A systems-analysis approach can be used in evaluating data from all available sources to triangulate on the best values which can be of higher accuracy than the individual values. This approach includes applied constraints on property values from interproperty relationships, expected smooth trends of properties between related chemicals, and the impact of chemical similarities and differences. These constraints are simultaneously included in the evaluation of the raw experimental data to provide recommended values of constant properties and correlations for temperature-dependent properties. This paper will illustrate how this systems approach has been used to provide recommended property values in the DIPPR 801 evaluated database. In particular, a recent re-evaluation of the properties of the 1,n-alkanediol compounds in the DIPPR database, prompted by the availability of more recently measured critical temperatures and pressures of three members of this family, is used as an illustrative case study of this approach, and some of the newly recommended property values and temperature-dependent correlations for this family are provided.

• 出版日期2014-4