Possible precursors and products of deep hydrodesulfurization of gasoline and distillate fuels IV. Heat capacities, enthalpy increments, vapor pressures, and derived thermodynamic functions for dicyclohexylsulfide between the temperatures (5 and 520) K

Steele, W.V.; Chirico, Robert D.; Knipmeyer, S.E.; Nguyen, A.

doi:10.1016/j.jct.2003.11.012

Cited by 5 publications

(2 citation statements)

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“…The effects of temperature and the structure of surfactants, in particular the hydrocarbon chain length on molecular self-assembly, can be observed by thermodynamic parameters. The thermodynamic properties of surfactants have been widely studied by applying different techniques such as surface tension, light scattering, and densitometry . In recent years, calorimetry, especially microcalorimetry, has been used to offer a direct and precise determination of the enthalpy change upon micellization .…”

Section: Introductionmentioning

confidence: 99%

“…The thermodynamic properties of surfactants have been widely studied by applying different techniques such as surface tension, 10 light scattering, 11 and densitometry. 12 In recent years, calorimetry, especially microcalorimetry, has been used to offer a direct and precise determination of the enthalpy change upon micellization. 13 Recently, isothermal titration microcalorimetry has been introduced as a promising method for the quantitative study of amphiphile self-aggregation or micellization.…”

Section: Introductionmentioning

confidence: 99%

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Micelle Formation of Long-Chain Imidazolium Ionic Liquids in Aqueous Solution Measured by Isothermal Titration Microcalorimetry

et al. 2009

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Self-association of three long-chain imidazolium ionic liquids (ILs), [C12mim]Br, [C14mim]Br, and [C16mim]Br, in aqueous solution was studied by surface tension measurements over a temperature range from (278.15 to 328.15) K. Effects of temperature and hydrocarbon chain length of the three long-chain ILs on the critical micelle concentration (CMC) were examined. Thermodynamic parameters, Δmic G, Δmic H, and Δmic S, of micellization were determined by applying a mass-action model equation. Isothermal titration microcalorimetry was used to obtain the enthalpy change upon micellization of the three long-chain ILs at 298.15 K. Moreover, the CMCs and the thermodynamic parameters (Δmic G, Δmic H, and Δmic S) were determined based on the isothermal titration microcalorimetry results. These CMC values are approximately equal to the CMCs obtained by surface tension measurement.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Micelle Formation of Long-Chain Imidazolium Ionic Liquids in Aqueous Solution Measured by Isothermal Titration Microcalorimetry

et al. 2009

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A predictive correlation for the constant-pressure specific heat capacity of pure and ill-defined liquid hydrocarbons

Dadgostar

Shaw

2012

Fluid Phase Equilibria

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Efficient Ab Initio Estimation of Formation Enthalpies for Organic Compounds: Extension to Sulfur and Critical Evaluation of Experimental Data

Paulechka

Kazakov

2021

J. Phys. Chem. A

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The efficient protocol for the estimation of gas-phase enthalpies of formation developed previously for C, H, O, N, and F elements was extended to sulfur. The protocol is based on a local coupled cluster with single, double, and perturbative triple excitation [CCSD(T)] approximation and allows rapid evaluation of compounds with sizes computationally prohibitive to canonical CCSD(T) using quadruple zeta basis sets. As a part of model development, a comprehensive review and critical evaluation of experimental data were performed for 87 sulfurcontaining organic and inorganic compounds. A compact model with only three empirical parameters for sulfur introduced to address the effects beyond frozen core CCSD(T) was developed. The model exhibits approximately 2 kJ•mol −1 standard deviation over a set of experimental values for a diverse collection of sulfur-containing compounds. The complete basis set version of the model demonstrates a similar performance and requires only one empirical parameter. Multiple problems with the existing experimental data were identified and discussed. In addition, a lack of reliable data for certain important classes of sulfur compounds was found to impede the model generalization and confident performance assessment.

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Possible precursors and products of deep hydrodesulfurization of gasoline and distillate fuels IV. Heat capacities, enthalpy increments, vapor pressures, and derived thermodynamic functions for dicyclohexylsulfide between the temperatures (5 and 520) K

Cited by 5 publications

References 32 publications

Micelle Formation of Long-Chain Imidazolium Ionic Liquids in Aqueous Solution Measured by Isothermal Titration Microcalorimetry

Micelle Formation of Long-Chain Imidazolium Ionic Liquids in Aqueous Solution Measured by Isothermal Titration Microcalorimetry

A predictive correlation for the constant-pressure specific heat capacity of pure and ill-defined liquid hydrocarbons

Efficient Ab Initio Estimation of Formation Enthalpies for Organic Compounds: Extension to Sulfur and Critical Evaluation of Experimental Data

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