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Tokumitsu, Shun*; Mishima, Takumi*; Matsumiya, Masahiko*; Sasaki, Yuji
Journal of Molecular Liquids, 414, Part A, p.126150_1 - 126150_8, 2024/11
The coordination states of Ln(III), (Ln=Pr, Nd, Tb and Dy) in ILs were investigated by Raman spectroscopy. The thermodynamic properties for the isomerism of [TFSA]- from trans- to cis-isomer were evaluated. The cis-[TFSA]- conformer bound to Ln3+ cation was the preferred coordination state of [Ln(III)(cis-TFSA)5]2-. The bonding energies of [Ln(III)(cis-TFSA)5]2-, (Ln=Pr, Nd, Tb and Dy) were estimated from DFT calculation.
Guerinoni, E.*; Giusti, F.*; Dourdain, S.*; Dufrche, J.-F.*; Motokawa, Ryuhei; Ueda, Yuki; Aoyagi, Noboru; Zemb, T.*; Pellet-Rostaing, S.*
Journal of Molecular Liquids, 403, p.124820_1 - 124820_11, 2024/06
Times Cited Count:0 Percentile:0.00(Chemistry, Physical)Micheau, C.; Ueda, Yuki; Motokawa, Ryuhei; Akutsu, Kazuhiro*; Yamada, Norifumi*; Yamada, Masako*; Moussaoui, S. A.*; Makombe, E.*; Meyer, D.*; Berthon, L.*; et al.
Journal of Molecular Liquids, 401, p.124372_1 - 124372_12, 2024/05
Times Cited Count:2 Percentile:74.82(Chemistry, Physical)Islam, M. S.*; Maamoun, I.; Falyouna, O.*; Eljamal, O.*; Saha, B. B.*
Journal of Molecular Liquids, 370, p.121005_1 - 121005_11, 2023/01
Times Cited Count:41 Percentile:98.55(Chemistry, Physical)Falyouna, O.*; Maamoun, I.; Ghosh, S.*; Malloum, A.*; Othmani, A.*; Eljamal, O.*; Amen, T. W. M.*; Oroke, A.*; Bornman, C.*; Ahmadi, S.*; et al.
Journal of Molecular Liquids, 368, Part B, p.120726_1 - 120726_25, 2022/12
Times Cited Count:14 Percentile:50.83(Chemistry, Physical)Yamaguchi, Toshio*; Yoshida, Koji*; Machida, Shinichi*; Hattori, Takanori
Journal of Molecular Liquids, 365, p.120181_1 - 120181_10, 2022/11
Times Cited Count:1 Percentile:7.41(Chemistry, Physical)Neutron scattering measurements were performed on an aqueous 3 mol/kg NaCl solution in DO at temperature and pressure conditions of 0.1 MPa/298K, 1 GPa/298K, 1 GPa/523K, and 4 GPa/523K. The empirical potential structure refinement method was applied to the obtained data to extract the pair correlation function, coordination number distribution, angular distribution (orientation correlation), and spatial density function (3-D structure). From those results, pressure and temperature dependence of solvation and association of ions and solvent-water structure were discussed.
Yoshida, Koji*; Sanada, Yusuke*; Yamaguchi, Toshio*; Matsuura, Masato*; Tamatsukuri, Hiromu; Uchiyama, Hiroshi*
Journal of Molecular Liquids, 366, p.120218_1 - 120218_9, 2022/11
Times Cited Count:1 Percentile:7.41(Chemistry, Physical)Falyouna, O.*; Idham, M. F.*; Maamoun, I.; Bensaida, K.*; Ashik, U. P. M.*; Sugihara, Yuji*; Eljamal, O.*
Journal of Molecular Liquids, 359, p.119323_1 - 119323_20, 2022/08
Times Cited Count:48 Percentile:98.98(Chemistry, Physical)Maamoun, I.; Bensaida, K.*; Eljamal, R.*; Falyouna, O.*; Tanaka, Kazuya; Tosco, T.*; Sugihara, Yuji*; Eljamal, O.*
Journal of Molecular Liquids, 358, p.119216_1 - 119216_13, 2022/07
Times Cited Count:40 Percentile:98.55(Chemistry, Physical)Zhang, W. Q.*; Yamaguchi, Toshio*; Fang, C. H.*; Yoshida, Koji*; Zhou, Y. Q.*; Zhu, F. Y.*; Machida, Shinichi*; Hattori, Takanori; Li, W.*
Journal of Molecular Liquids, 348, p.118080_1 - 118080_11, 2022/02
Times Cited Count:2 Percentile:16.89(Chemistry, Physical)The ion hydration and association and hydrogen-bonded water structure in an aqueous 3 mol/kg RbCl solution were investigated at 298 K/0.1 MPa, 298 K/1 GPa, 523 K/1 GPa, and 523 K/4 GPa by neutron diffraction combined with EPSR methods. The second hydration layer of Rb and Cl
becomes evident under elevated pressure and temperature conditions. The average oxygen coordination number of Rb
(Cl
) in the first hydration layer increases from 6.3 (5.9) ambient pressure to 8.9 (9.1) at 4 GPa, while decreasing coordination distance from 0.290 nm (0.322 nm) to 0.288 nm (0.314 nm). The orientation of the water dipole in the first solvation shell of Rb
and a central water molecule is sensitive to pressure, but that in the first solvation shell of Cl
does not change very much. The number of contact-ion pairs Rb
-Cl
decreases with elevated temperature and increases with elevated pressure. Water molecules are closely packed, and the tetrahedral hydrogen-bonded network of water molecules no longer exists in extreme conditions.
Abe, Hiroshi*; Nemoto, Fumiya*; Hiroi, Kosuke; Oishi, Kazuki*; Takata, Shinichi
Journal of Molecular Liquids, 346, p.117035_1 - 117035_6, 2022/01
Times Cited Count:6 Percentile:54.20(Chemistry, Physical)Hashimoto, Shunsuke*; Nakajima, Kenji; Kikuchi, Tatsuya*; Kamazawa, Kazuya*; Shibata, Kaoru; Yamada, Takeshi*
Journal of Molecular Liquids, 342, p.117580_1 - 117580_8, 2021/11
Times Cited Count:4 Percentile:25.25(Chemistry, Physical)Quasi-elastic neutron scattering (QENS) and pulsed-field-gradient nuclear magnetic resonance (PFGNMR) analyses of a nanofluid composed of silicon dioxide (SiO) nanoparticles and a base fluid of ethylene glycol aqueous solution were performed. The aim was to elucidate the mechanism increase in the thermal conductivity of the nanofluid above its theoretical value. The obtained experimental results indicate that SiO
particles may decrease the self-diffusion coefficient of the liquid molecules in the ethylene glycol aqueous solution because of their highly restricted motion around these nanoparticles. At a constant temperature, the thermal conductivity increases as the self-diffusion coefficient of the liquid molecules decreases in the SiO
nanofluids.
Yoshida, Koji*; Zenin, Tomohiro*; Fujiyoshi, Ayako*; Sanada, Yusuke*; Yamaguchi, Toshio*; Murata, Kunihiko*; Takata, Shinichi; Hiroi, Kosuke; Takahiro, Takekiyo*; Yoshimura, Yukihiro*
Journal of Molecular Liquids, 293, p.111477_1 - 111477_9, 2019/11
Times Cited Count:9 Percentile:42.60(Chemistry, Physical)Abe, Hiroshi*; Yamada, Takeshi*; Shibata, Kaoru
Journal of Molecular Liquids, 264, p.54 - 57, 2018/08
Times Cited Count:15 Percentile:57.85(Chemistry, Physical)Okamoto, Yoshihiro; Osugi, Takeshi; Akabori, Mitsuo; Kobayashi, Toru; Shiwaku, Hideaki
Journal of Molecular Liquids, 232, p.285 - 289, 2017/04
Times Cited Count:4 Percentile:15.21(Chemistry, Physical)High energy XAFS measurement using cerium K-edge was performed to study the chemical state of cerium in high-temperature molten slag (SiO-CaO-Fe
O
-CeO
). It was found from the change in the nearest Ce-O distance obtained from EXAFS analysis and the energetic shift of the white line peak observed in XANES analysis that oxidation state of cerium was tetravalent in the molten state and trivalent in solid state. The Debye-Waller factor of the nearest Ce-O pair in solid slag was very large even at room temperature, and the change in its value upon heating and melting was very small. This result suggests that cerium is highly disordered and stable in solid slag.
Murakami, Hiroshi
Journal of Molecular Liquids, 210, Part A, p.37 - 43, 2015/10
Times Cited Count:11 Percentile:36.26(Chemistry, Physical)Picosecond relaxation dynamics of water before and after water shedding from reverse micelles are studied using temperature-dependent terahertz time-domain spectroscopy measurements to clarify the confinement effect of the reverse micelle on the dynamics of water. Before water shedding, the relaxation process due to the collective motion of bulk-like water in the core of the reverse micelle exhibits a considerable slowing down in comparison with that in liquid water as the temperature decreases. This is attributed to the confinement effect of reverse micelles. Moreover, the time constant abruptly drops at the water shedding, and its temperature behavior is similar to that of liquid water afterwards. These results demonstrate that the water extracted from the reverse micelle attains the property of liquid water by reduction in the confinement imposed on the motion of the water.
Okamoto, Yoshihiro; Shiwaku, Hideaki; Yaita, Tsuyoshi; Suzuki, Shinichi; Gaune-Escard, M.*
Journal of Molecular Liquids, 187, p.94 - 98, 2013/11
Times Cited Count:17 Percentile:52.97(Chemistry, Physical)The local structure of molten GdCl and its mixture in LiCl-KCl eutectic was investigated by Gd K-edge extended X-ray absorption fine structure (EXAFS) technique. As the result of curve fitting analysis, the nearest Gd
-Cl
distance was 2.74
0.02
with coordination number 6.5
0.3 in the pure melt. On the other hand, those in the 10%GdCl
mixture melt decreased to 2.70
0.01
and 6.1
0.3, respectively. These results suggest that octahedral coordination (GdCl
)
structure is formed and stabilized by mixing with the alkali chlorides. The result was compared with that of YCl
and LaCl
in LiCl-KCl eutectic melt.
Yamaguchi, Toshio*; Fujimura, Koji*; Uchi, Kazuya*; Yoshida, Koji*; Katayama, Yoshinori
Journal of Molecular Liquids, 176, p.44 - 51, 2012/12
Times Cited Count:19 Percentile:55.97(Chemistry, Physical)X-ray diffraction measurements in an energy-dispersive mode have been made on water under various thermodynamic conditions of 298 K/30 MPa, 473 K/30 MPa and 573 K/30 MPa on a laboratory X-ray diffractometer. All the X-ray structure factors as well as those of water already measured at 298 K/1 GPa, 473 K/0.35 GPa and 486 K/4 GPa by using synchrotron X-ray radiation were subjected to empirical potential structure refinement (EPSR) modeling to reveal the detailed hydrogen bonding features in terms of partial pair correlation function, coordination number and three-dimensional spatial density function as a function of temperature and pressure. It has been shown to what extent the tetrahedral hydrogen-bonded network of water is perturbed by pressure and temperature.
Murakami, Hiroshi
Journal of Molecular Liquids, 89(1-3), p.33 - 45, 2000/12
Times Cited Count:9 Percentile:26.98(Chemistry, Physical)no abstracts in English