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Thermodynamic and thermophysical properties of the reference ionic liquid: 1-Hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide (including mixtures). Part 2. Critical evaluation and recommended property values (IUPAC Technical Report)

“…All values were checked for typographical errors and obvious inconsistencies before loading into the NIST/TRC SOURCE Data Archival System [7,8]. Recommended values were derived based on weighted averaging for single-valued properties and weighted fitting of appropriate equations for properties involving independent variables.…”

“…Non-IUPAC samples were used by: +, Aki et al [27]; , Kim et al [48]; ×, Kim et al [49]; ♦ , Shin et al [50]. (7) k H,CO2 = 30.965 -2351.6/(T/K) -2.6365ؒln(T/K), (8) and k H,CO 2 is the Henry's law constant of CO 2 Fig. 15 (as percent deviations) and Fig.…”

Large scale data regression for process calculations—theory and description of the virtual database

“…(9) M is defined using Eq. (11): (11) where N is the total number of experiments and M u the number of observations recorded in the uth experiment. The number of responses observed is usually different from experiment to experiment.…”

“…This quality-driven solution for the calculation of physical properties used in process simulation is possible only if a robust data management system of pure component and mixture data with evaluated uncertainties is available [10,11], and the necessary thermodynamic framework of models and multiphase flash calculations is developed [9] to be used for extensive data regression and statistical analysis within the structure of rigorous flash calculations used for process simulation.…”

From molecular insights and chemical technologies to communications and expert systems: A few short thermodynamic stories

“…The ThermoData Engine (TDE) [82,83] software incorporates all major stages of the concept implementation including data retrieval, grouping, normalization, sorting, consistency enforcement, fitting, and prediction. The SOURCE data system [84,85] is used in conjunction with TDE as the comprehensive storage facility for experimental thermophysical and thermochemical property data ( figure 27). In addition, the NIST/TRC Ideal Gas Database [86] is used as a source of thermodynamic property data in the ideal-gas state.…”