Algorithmic Framework for Quality Assessment of Phase Equilibrium Data
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- 作者：Jeong Won Kang ; Vladimir Diky ; Robert D. Chirico ; Joseph W. Magee ; Chris D. Muzny ; Andrei F. Kazakov ; Kenneth Kroenlein ; Michael Frenkel
- 刊名：Journal of Chemical & Engineering Data
- 出版年：2014
- 出版时间：July 10, 2014
- 年：2014
- 卷：59
- 期：7
- 页码：2283-2293
- 全文大小：885K
- ISSN：1520-5134
文摘
Data quality assessment procedures for various types of phase equilibrium data are reviewed and analyzed. Experimental data for vapor鈥搇iquid equilibrium (VLE), liquid鈥搇iquid equilibrium (LLE), solid鈥搇iquid equilibrium (SLE), infinite dilution activity coefficients (ACT), and excess enthalpy (HE) are used for interproperty consistency checks, together with relevant properties of pure compounds. These procedures are essential for validation of experimental data and development of high quality prediction and correlation models. A single framework involving consistency tests for all types of phase equilibria data is proposed, together with an algorithm implementation.