Thermodynamical study of poly(<i>n</i>‐hexyl methacrylate) with some solvents by inverse gas chromatography

Yazıcı, Özlem; Şakar, Dolunay; Cankurtaran, Özlem; Karaman, Ferdane

doi:10.1002/app.34288

Cited by 12 publications

(4 citation statements)

References 19 publications

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“…where n is the number of carbon atoms in the solvent, V c is the critical molar volume of the solvent, and T c is the critical temperature of the solvent. The Hildebrand solubility parameter δ 2 can be computed according to the following equation: 25 i k j j j j j y…”

Section: ■ Theoretical Calculationsmentioning

confidence: 99%

Solubility Parameter of Ionic Liquids: A Comparative Study of Inverse Gas Chromatography and Hansen Solubility Sphere

Wang

2019

ACS Sustainable Chem. Eng.

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The solubility parameters of four ionic liquids (ILs), 1-ethyl-3-methylimidazolium methyl sulfate ([EMIM][MeSO4]), 1-butyl-3-methylimidazolium methyl sulfate ([BMIM][MeSO4]), 1-hexyl-3-methylimidazolium methyl sulfate ([HMIM][MeSO4]), and 1-octyl-3-methylimidazolium methyl sulfate ([OMIM][MeSO4]), were estimated using two complementary methods. The first is an inverse gas chromatography (IGC) method, which determined the Hildebrand solubility parameters of four ILs based on a series of formulaic calculations. The second is the Hansen solubility sphere method, which determined the Hansen solubility parameters (HSPs) of the four ILs based on solubility testing of four ILs in 30 pure solvents. The results showed that the Hansen solubility sphere method provides higher values of the solubility parameters, while the IGC method presents lower values. In addition, the miscibilities of ILs in various solvents were evaluated by the method of IGC, and the results exhibit good agreement with those derived from the Hansen solubility sphere method. It is confirmed that the IGC and Hansen solubility sphere methods can be used to determine the solubility parameters of the ILs and were useful for solvent selection.

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Section: ■ Theoretical Calculationsmentioning

confidence: 99%

Solubility Parameter of Ionic Liquids: A Comparative Study of Inverse Gas Chromatography and Hansen Solubility Sphere

Wang

2019

ACS Sustainable Chem. Eng.

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“…The square root of the cohesive energy density (CED) is used as a numerical value indicating the solvency behavior of a specific solvent. The solubility parameter of the probe, δ 1 , and the solubility parameter of the polymer, δ 2 , can be calculated by using the following relation: [24,25] …”

Section: Solubility Parametermentioning

confidence: 99%

Determination of the Solubility Parameter of Epoxidized Soybean Oil by Inverse Gas Chromatography

Wang

Chen

Tang

et al. 2013

Journal of Macromolecular Science, Part B

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The thermodynamic parameters of epoxidized soybean oil (ESO) were determined by means of inverse gas chromatography (IGC) in the temperature range of 303.15 K-343.15 K. Two groups of probe solvents with different chemical natures and polarities were used to obtain information about ESO. The thermodynamic parameters-such as molar heat of sorption, weight fraction activity coefficient, Flory-Huggins interaction parameter, and partial molar heat of mixing-were obtained to judge the interactions between ESO and solvents at the studied temperatures. Also, the solubility parameters of ESO were found by plotting the graph of δ 1 2 /(RT) -χ ∞ 12 /V 1 vs. solubility parameters, δ 1 , of the probes. The results showed that the selected solvent ethyl acetate was a moderate solvent for ESO; n-hexane was a moderate (but close to a better) solvent; while the probes n-heptane, n-octane, n-nonane, and chloroform were excellent solvents. From the extrapolation to 298 K, the solubility parameter value of ESO was 16.70 (J/cm 3 ) 0.5 .

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“…Kim et al [13] measured the activity coefficient of solvent under the infinite dilution of the monodisperse polystyrene-hydrocarbon system in the temperature range of 373.15-423.15K by gas chromatography. Zlem et al [14] carried out the retention volume diagrams of ethyl acetate, isobutyl acetate, tert-butyl acetate, benzene, n-hexane, n-heptane, n-octane, acetone, chloroform, and acetonitrile on poly hexyl methacrylate (PHMA) by reversed-phase chromatography and computed the weight fraction activity system of polymer-solvent when PHMA was diluted infinitely. The activity coefficients in binary or ternary polymer solutions under infinite solute dilution could be readily measured.…”

Section: Introductionmentioning

confidence: 99%

Calculation Methods of Solution Chemical Potential and Application in Emulsion Microencapsulation

Liu

Zhou

2021

Molecules

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Several new biased sampling methods were summarized for solution chemical potential calculation methods in the field of emulsion microencapsulation. The principles, features, and calculation efficiencies of various biased Widom insertion sampling methods were introduced, including volume detection bias, simulation ensemble bias, and particle insertion bias. The proper matches between various types of solution in emulsion and biased Widom methods were suggested, following detailed analyses on the biased insertion techniques. The volume detection bias methods effectively improved the accuracy of the data and the calculation efficiency by inserting detection particles and were suggested to be used for the calculation of solvent chemical potential for the homogeneous aqueous phase of the emulsion. The chemical potential of water, argon, and fluorobenzene (a typical solvent of the oil phase in double emulsion) was calculated by a new, optimized volume detection bias proposed by this work. The recently developed Well-Tempered(WT)-Metadynamics method skillfully constructed low-density regions for particle insertion and dynamically adjusted the system configuration according to the potential energy around the detection point, and hence, could be used for the oil-polymer mixtures of microencapsulation emulsion. For the macromolecule solutes in the oil or aqueous phase of the emulsion, the particle insertion bias could be applied to greatly increase the success rate of Widom insertions. Readers were expected to choose appropriate biased Widom methods to carry out their calculations on chemical potential, fugacity, and solubility of solutions based on the system molecular properties, inspired by this paper.

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Thermodynamical study of poly(n‐hexyl methacrylate) with some solvents by inverse gas chromatography

Cited by 12 publications

References 19 publications

Solubility Parameter of Ionic Liquids: A Comparative Study of Inverse Gas Chromatography and Hansen Solubility Sphere

Solubility Parameter of Ionic Liquids: A Comparative Study of Inverse Gas Chromatography and Hansen Solubility Sphere

Determination of the Solubility Parameter of Epoxidized Soybean Oil by Inverse Gas Chromatography

Calculation Methods of Solution Chemical Potential and Application in Emulsion Microencapsulation

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