Good Reporting Practice for Thermophysical and Thermochemical Property Measurements (IUPAC Technical Report).

Scientific projects frequently involve measurements of thermophysical, thermochemical, and other related properties of chemical compounds and materials. These measured property data have significant potential value for the scientific community, but incomplete and inaccurate reporting often hampers their utilization. The present IUPAC Technical Report summarizes the needs of chemical engineers and researchers as consumers of these data and shows how publishing practices can improve information transfer. In the Report, general principles of Good Reporting Practice are developed together with examples illustrating typical cases of reporting issues. Adoption of these principles will improve the quality, reproducibility, and usefulness of experimental data, bring a better level of consistency to results, and increase the efficiency and impact of research. Closely related to Good Reporting Practice, basic elements of Good Research Practice are also introduced with a goal to reduce the number of ambiguities and unresolved problems within the thermophysical property data domain.

Corrigendum to: "Entropy Scaling-Based Correlation for Estimating the Self-Diffusion Coefficients of Pure Fluids".

[This corrects the article DOI: 10.1021/acs.iecr.2c01086.].

Activity coefficients at infinite dilution of organic compounds in 1-(meth)acryloyloxyalkyl-3-methylimidazolium bromide using inverse gas chromatography.

Activity coefficients at infinite dilution, gammainfinity, of organic compounds in two new room-temperature ionic liquids (n-methacryloyloxyhexyl-N-methylimidazolium bromide (C10H17O2MIM)(Br) at 313.15 and 323.15 K and n-acryloyloxypropyl-N-methylimidazolium bromide(C6H11O2MIM)(Br)) were determined using inverse gas chromatography. Phase loading studies of the net retention volume per gram of packing as a function of the percent phase loading were used to estimate the influence of concurrent retention mechanisms on the accuracy of activity coefficients at infinite dilution of solutes in both ionic liquids. It was found that most of the solutes were retained largely by partition with a small contribution from adsorption and that n-alkanes were retained predominantly by interfacial adsorption on ionic liquids studied in this work. The solvation characteristics of the two ionic liquids were evaluated using the Abraham solvation parameter model.

Accurate measurements of thermodynamic properties of solutes in ionic liquids using inverse gas chromatography.

Activity coefficients at infinite dilution of 29 organic compounds in two room temperature ionic liquids were determined using inverse gas chromatography. The measurements were carried out at different temperatures between 323.15 and 343.15K. To establish the influence of concurrent retention mechanisms on the accuracy of activity coefficients at infinite dilution for 1-butyl-3-methylimidazolium octyl sulfate and 1-ethyl-3-methylimidazolium tosylate, phase loading studies of the net retention volume per gram of packing as a function of the percent phase loading were used. It is shown that most of the solutes are retained largely by partition with a small contribution from adsorption on 1-butyl-3-methylimidazolium octyl sulfate and that the n-alkanes are retained predominantly by interfacial adsorption on 1-ethyl-3-methylimidazolium tosylate.

Modeling the solubility of carbon dioxide in imidazolium-based ionic liquids with the PC-SAFT equation of state.

The goal of this work was to check the ability of the PC-SAFT equation to represent the solubility of carbon dioxide (CO(2)) in ionic liquids. Parameters of pure imidazolium-based ionic liquids were estimated using experimental densities over a large range of temperatures and then correlated with respect to the molecular weight and structure of the solvents. It was found that such a correlation is able to predict the density with high accuracy. The solubility of carbon dioxide in such ionic liquids was then studied. The binary interaction parameter k(ij) needed for the representation of such binary systems was first fitted to experimental liquid-vapor equilibria data. In a second step, a correlation based on the group contribution concept was developed to determine this temperature-dependent parameter. The ability of the model to describe accurately carbon dioxide solubility in imidazolium-based ionic liquids is demonstrated.

Extraction of benzene or thiophene from n-heptane using ionic liquids. NMR and thermodynamic study.

In this work, (1)H and (31)P NMR spectroscopy were used to study the interactions between thiophene or benzene with three imidazolium based ionic liquids (ILs): 1-butyl-3-methylimidazolium tetrafluoroborate, 1,3-dimethylimidazolium methylphosphonate, and 1-butyl-3-methylimidazolium thiocyanate. NMR study indicates that solubility of thiophene or benzene in ionic liquid strongly depends on the structure of the ionic liquid. Structural organizations of such systems have been proposed. From these results, liquid-liquid equilibria (LLE) measurements of ternary mixtures containing benzene or thiophene with n-heptane and these ILs were carried out at 298.15 K in order to check the ability of these ILs to act as extractive solvents.

High carbon dioxide solubilities in imidazolium-based ionic liquids and in poly(ethylene glycol) dimethyl ether.

This work is focused on the possible capture of carbon dioxide using ionic liquids (ILs). Such solvents are gaining special attention because the efficiency of many processes can be enhanced by the judicious manipulation of their properties. The absorption of greenhouse gases can be enhanced by the basic character of the IL. In this work, these characteristics are evaluated through the study of the gas-liquid equilibrium of four imidazolium-based ILs: 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF(4)], 1-butyl-3-methylimidazolium thiocyanate [BMIM][SCN], 1,3-dimethylimidazolium methylphosphonate [DMIM][MP], and 1,3-diethoxyimidazolium bis(trifluoromethylsulfonyl)imide [(ETO)(2)IM][Tf(2)N] with CO(2) at temperatures up to 373 K and pressures up to 300 bar. Solubility of carbon dioxide in poly(ethylene glycol) dimethyl ether, component of selexol, was also measured to evaluate the capture's efficiency of ionic liquids. Experimental data indicate that 67 to 123 g of CO(2) can be absorbed per kg of ionic liquid and 198 g per kg of poly(ethylene glycol) dimethyl ether.

Reducing of nitrous oxide emissions using ionic liquids.

This work is focused on the possible capture of nitrous oxide and more precisely protoxide using ionic liquids (ILs). ILs are gaining special attention since the efficiency of many processes can be enhanced by the judicious manipulation of their properties. The absorption of greenhouse gases can be enhanced by the basic character of the IL. In this work, these characteristics are evaluated through the study of the gas-liquid equilibrium of five imidazolium-based ILs: 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF(4)]), 1-butyl-3-methylimidazolium thiocyanate ([BMIM][SCN]), 1,3-dimethylimidazolium methylphosphonate ([DMIM][MP]), 1,3-diethoxyimidazolium bis(trifluoromethylsulfonyl)imide ([(ETO)(2)IM][Tf(2)N]), and 1,3-dihydroxyimidazolium bis(trifluoromethylsulfonyl)imide ([(OH)(2)IM][Tf(2)N]) with N(2)O at temperatures up to 373 K and pressures up to 300 bar. Experimental data indicate that 44-105 g of N(2)O can be absorbed per kilograms of IL.

Partition coefficients of organic compounds in new imidazolium based ionic liquids using inverse gas chromatography.

Partition coefficients of organic compounds in four ionic liquids: 1-ethanol-3-methylimidazolium tetrafluoroborate, 1-ethanol-3-methylimidazolium hexafluorophosphate, 1,3-dimethylimidazolium dimethylphosphate and 1-ethyl-3-methylimidazolium diethylphosphate were measured using inverse gas chromatography from 303.3 to 332.55K. The influence of gas-liquid and gas-solid interfacial adsorption of different solutes on ionic liquids was also studied. Most of the polar solutes were retained largely by partition while light hydrocarbons were retained predominantly by interfacial adsorption on the ionic liquids studied in this work. The solvation characteristics of the ionic liquids were evaluated using the Abraham solvation parameter model.