Alkali chlorides-induced phase separation of acetonitrile–water mixtures studied by small-angle neutron scattering

Takamuku, Toshiyuki; Noguchi, Yasukuni; Yoshikawa, Eiichi; Kawaguchi, T.; Matsugami, Masaru; Otomo, Toshiya

doi:10.1016/j.molliq.2006.08.048

Cited by 25 publications

(21 citation statements)

References 23 publications

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“…To investigate HFIP/water mixtures containing electrolytes, 5 mL of HFIP was mixed with 5 mL of water containing different concentrations of the electrolyte. As the electrolyte, NaCl was chosen because of the results obtained previously by us and Takamuku et al …”

Section: Resultsmentioning

confidence: 99%

Hexafluoroisopropanol as a Low‐Boiling Extraction Solvent for 5‐Hydroxymethylfurfural Production

et al. 2017

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In this study, we show that the fluorous alcohol hexafluoroisopropanol (HFIP) can act as a superior solvent for the in situ extraction of 5‐hydroxymethylfurfural (HMF) from an aqueous reaction system. HFIP has a far higher partition coefficient for HMF than common extraction solvents such as methyl isobutyl ketone (MIBK) and n‐butanol and has a significantly lower boiling point of 58–59 °C. In a system containing fructose, HCl as the catalyst, and HFIP as the extraction solvent, a high HMF yield of 89 % is achieved, which is far better than the HMF yields in common MIBK/butanol extraction systems. HFIP extracts HMF from the reaction phase without extraction of the fructose educt. In addition, the aqueous catalyst phase can be reused.

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Section: Resultsmentioning

confidence: 99%

Hexafluoroisopropanol as a Low‐Boiling Extraction Solvent for 5‐Hydroxymethylfurfural Production

et al. 2017

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“…Besides, the subject is of much importance for several electrochemical applications, see e.g., [1]. Various ionic solutions involving different co-solvents have been investigated using experimental techniques and computer simulations [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

On the properties of methanolic NaCl solution by molecular dynamics simulations

Sanchez¹,

Domı́nguez²,

Pizio³

2020

Condens. Matter Phys.

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Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt dissolved in methanol solvent. Four united atom force fields for methanol are involved. Concerning ion solutes we used the Joung-Cheatham, Smith-Dang models as well as the model from the laboratory of Vrabec. Our principal focus is to evaluate the quality of predictions of different combinations of models for basic properties of these solutions. Specifically, we explored the change of density on molality, the structural properties in terms of various pair distribution functions, the coordination numbers, the number of ion pairs and the average number of hydrogen bonds. In addition, changes of the self-diffusion coefficients of species, the solvent dielectric constant and the evolution of the surface tension with ion concentration are described.

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“…Various ionic solutions comprising several co-solvents have been investigated using experimental techniques and computer simulations, see, e.g. [9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26].…”

Section: Introductionmentioning

confidence: 99%

“…In particular, salt-induced phase separation of aqueous mixtures of a water-miscible organic solvent has been the subject of experimental and computational studies [20][21][22][23][24][25]. On the other hand, ionic solutions of halides with alkali and doubly valent cations in water-methanol solvents of various composition do not exhibit this kind of phase separation [11][12][13][14][15][16][17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results

Sánchez¹,

Gujt²,

Sokołowski³

et al. 2018

Condens. Matter Phys.

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Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and other properties of a model solution consisting of NaCl salt dissolved in water-methanol mixture. The SPC/E water model and the united atom model for methanol are combined with the force field for ions by Dang [J. Amer. Chem. Soc., 1995, 117, 6954] to describe the entire system. Our principal focus is to study the effects of two variables, namely, the solvent composition and ion concentrations on the solution's density, on the structural properties, self-diffusion coefficients of the species and the dielectric constant. Moreover, we performed a detailed analysis of the first coordination numbers of the species. Trends of the behaviour of the average number of hydrogen bonds between solvent molecules are evaluated.

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Alkali chlorides-induced phase separation of acetonitrile–water mixtures studied by small-angle neutron scattering

Cited by 25 publications

References 23 publications

Hexafluoroisopropanol as a Low‐Boiling Extraction Solvent for 5‐Hydroxymethylfurfural Production

Hexafluoroisopropanol as a Low‐Boiling Extraction Solvent for 5‐Hydroxymethylfurfural Production

On the properties of methanolic NaCl solution by molecular dynamics simulations

Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results

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