Organization of malonamides from the interface to the organic bulk phase

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

https://doi.org/10.1016/j.molliq.2024.124372

Supramolecular organization of extractant molecules impacts metal ions separation behavior. Probing bulk and interfacial structures of the relevant systems is expected to provide key insights into the metal ion selectivity and kinetic aspects. The supramolecular features of two solvent extraction systems based on malonamide extractants THMA in toluene and DBMA in n-heptane were studied using small-angle X-ray scattering for the organic bulk phases, as well as interfacial tension and neutron reflectivity measurements for the interfaces. In the bulk solution, THMA forms dimeric/trimeric associates but no aggregates in toluene, while DBMA forms large aggregates in n-heptane. On the other hand, THMA accumulates in a diffuse layer at the interface at high THMA concentration, whereas DBMA forms a compact but thinner layer. After Pd(II) extraction, the thickness of interfacial layers decreases in the case of THMA, and totally vanishes in the case of DBMA. Based on these new structural information, two mechanisms are proposed for Pd(II) and Nd(III) extraction with malonamides. In toluene, THMA associates slightly accumulate in the vicinity of the interface, then coordinate Pd(II) and diffuse into the organic bulk phase. In n-heptane, DBMA aggregates adsorb at the interface then pick up Nd(III) cations in their polar cores and finally diffuse into the bulk.

Arsenic removal from contaminated water utilizing novel green composite and nano zero-valent iron

Islam, M. S.*; Maamoun, I.; Falyouna, O.*; Eljamal, O.*; Saha, B. B.*

Journal of Molecular Liquids, 370, p.121005_1 - 121005_11, 2023/01

https://doi.org/10.1016/j.molliq.2022.121005

Neutron scattering on an aqueous sodium chloride solution in the gigapascal pressure range

Yamaguchi, Toshio*; Yoshida, Koji*; Machida, Shinichi*; Hattori, Takanori

Journal of Molecular Liquids, 365, p.120181_1 - 120181_10, 2022/11

https://doi.org/10.1016/j.molliq.2022.120181

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.

Promotion of ciprofloxacin adsorption from contaminated solutions by oxalate modified nanoscale zerovalent iron particles

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

https://doi.org/10.1016/j.molliq.2022.119323

Structure of an aqueous RbCl solution in the gigapascal pressure range by neutron diffraction combined with empirical potential structure refinement modeling

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

https://doi.org/10.1016/j.molliq.2021.118080

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.

Experimental analysis on dynamics of liquid molecules adjacent to particles in nanofluids

Hashimoto, Shunsuke*; Nakajima, Kenji; Kikuchi, Tatsuya*; Kamazawa, Kazuya*; Shibata, Kaoru; Yamada, Takeshi*

Journal of Molecular Liquids, 342, p.117580_1 - 117580_8, 2021/11

https://doi.org/10.1016/j.molliq.2021.117580

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.

Dynamic properties of nano-confined water in an ionic liquid

Abe, Hiroshi*; Yamada, Takeshi*; Shibata, Kaoru

Journal of Molecular Liquids, 264, p.54 - 57, 2018/08

https://doi.org/10.1016/j.molliq.2018.05.006

Terahertz dynamics of water before and after water shedding from reverse micelles

Murakami, Hiroshi

Journal of Molecular Liquids, 210, Part A, p.37 - 43, 2015/10

https://doi.org/10.1016/j.molliq.2015.03.015

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.

Structure of water from ambient to 4 GPa revealed by energy-dispersive X-ray diffraction combined with empirical potential structure refinement modeling

Yamaguchi, Toshio*; Fujimura, Koji*; Uchi, Kazuya*; Yoshida, Koji*; Katayama, Yoshinori

Journal of Molecular Liquids, 176, p.44 - 51, 2012/12

https://doi.org/10.1016/j.molliq.2012.08.021

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.

Femtosecond time-resolved fluorescence spectra of a coumarin dye in glycerol

Murakami, Hiroshi

Journal of Molecular Liquids, 89(1-3), p.33 - 45, 2000/12

https://doi.org/10.1016/S0167-7322(00)90003-5

no abstracts in English