Faculty Profiles - YAMAGUCHI, Tsuyoshi

Density and Viscosity Calculation of a Quaternary System of Amine Absorbents before and after Carbon Dioxide Absorption Reviewed

Khuyen Viet Bao Tran, Sato Miho, Yanase Keiichi, Yamaguchi Tsuyoshi, Machida Hiroshi, Norinaga Koyo

JOURNAL OF CHEMICAL AND ENGINEERING DATA Vol. 66 ( 8 ) page： 3057 - 3071 2021.8

Language：English Publishing type：Research paper (scientific journal) Publisher：Journal of Chemical and Engineering Data

Viscosity and density of amine absorbents affect directly their flow, which is involved in the process design and simulation of carbon dioxide capture. A mixture of 2-(ethyl amino) ethanol (EAE), diethylene glycol diethyl ether (DEGDEE), and water changes its phase from homogeneous to two-liquid ones on CO2 absorption. It is difficult to calculate the viscosity and density of this phase separation solution, especially those of quaternary-component phases. In this research, models to calculate the density and viscosity of the quaternary-component system of EAE/DEGDEE/water/carbamate were suggested based on nonrandom two-liquid (NRTL)-DVOL and NRTL-DVIS models. Given the component concentrations, these models can replicate well the viscosity and density of the solutions. A good calculation result with a few numbers of parameters makes the models simple and easy to use.

DOI： 10.1021/acs.jced.1c00195

Low temperature swing process for CO2 absorption-desorption using phase separation CO2 capture solvent Reviewed

Online composition analysis of phase separation solvent for carbon dioxide capture using ATR‐FT‐IR Reviewed

Miho Sato, Khuyen Viet Bao Tran, Tsuyoshi Yamaguchi, Hiroshi Machida, Koyo Norinaga

Journal of Advanced Manufacturing and Processing 2020.10

Online composition analysis of phase separation solvent for carbon dioxide capture using ATR‐FT‐IR Reviewed

Miho Sato, Khuyen Viet Bao Tran, Tsuyoshi Yamaguchi, Hiroshi Machida, Koyo Norinaga

Journal of Advanced Manufacturing and Processing Vol. 2 ( 4 ) page： e10067 2020.7

Translation-orientation coupling and Cox-Merz rule of liquid hexane Reviewed

Yamaguchi Tsuyoshi, Matsuoka Tatsuro

The Journal of Chemical Physics Vol. 149 ( 20 ) page： 204502 2018.11

Hiroshi Machida, Ryuya Ando, Takehiro Esaki, Tsuyoshi Yamaguchi, Hirotoshi Horizoe, Akira Kishimoto, Katsuya Akiyama, Makoto Nishimura

International Journal of Greenhouse Gas Control Vol. 75 page： 1 - 7 2018.8

Language：English Publishing type：Research paper (scientific journal) Publisher：Elsevier Ltd

We have developed a phase separation solvent which transforms into two liquid phases after CO2 absorption, in order to establish an energy-saving CO2 capture process. The CO2 loading changes strongly with temperature increase during the phase separation, which enables us to reduce the temperature difference between absorber and desorber. The low temperature swing process economizes the energy requirement for the CO2 capture process with highly-effective reaction-heat recovery. We evaluated the energy consumption of the CO2 capture process with our novel phase separation solvent based on the CO2 solubility. The energy requirement was estimated to be as low as 1.6 GJ/ton-CO2.

DOI： 10.1016/j.ijggc.2018.05.010

Re-investigation of translational–orientational coupling behavior of nematogen in isotropic phase with non-nematogenic additives Reviewed

Wataru Hanai, Tsuyoshi Yamaguchi, Tatsuro Matsuoka

Japanese Journal of Applied Physics Vol. 57 ( 7 ) page： 07LB05 2018.7

Stress-structure coupling and nonlinear rheology of Lennard-Jones liquid Reviewed

Tsuyoshi Yamaguchi

The Journal of Chemical Physics Vol. 148 ( 23 ) page： 234507 2018.6

Coupling between mesoscopic dynamics and shear stress of room-temperature ionic liquid Reviewed

Tsuyoshi Yamaguchi

Physical Chemistry Chemical Physics 2018.6

Shear Viscosity and Heterogeneous Structure of Alkylaminoethanol-Based CO2 Absorbents Reviewed

Tsuyoshi Yamaguchi, Ryuya Ando, Koji Yoshida, Toshio Yamaguchi, Hiroshi Machida

Journal of Physical Chemistry B Vol. 122 ( 14 ) page： 4045 - 4050 2018.4

Language：English Publishing type：Research paper (scientific journal) Publisher：American Chemical Society

Shear viscosity of concentrated aqueous solutions of alkylaminoethanols was determined with changing the length of the alkyl chain and the concentration of dissolved CO2. The viscosity increased with increasing the CO2 loading, reflecting the strengthening of the intermolecular electrostatic interaction. The dependence of the viscosity on both temperature and CO2 loading was described by a modified version of Vogel-Fulchar-Tammann equation. Compared at the same volume concentration of CO2, the viscosity increased with increasing the alkyl chain lengths, and the dependence on the alkyl chain length increased with the CO2 loading. At the same time, small-angle X-ray scattering profiles exhibited the presence of a prepeak when the alkyl chain was long, and the prepeak grew with the CO2 loading. It suggests that the presence of the heterogeneous structure increases the shear viscosity of the CO2 absorbents when the alkyl chain is long.

DOI： 10.1021/acs.jpcb.8b00946

Stick boundary condition at large hard sphere arising from effective attraction in binary hard-sphere mixtures Reviewed

Yuka Nakamura, Akira Yoshimori, Ryo Akiyama, Tsuyoshi Yamaguchi

JOURNAL OF CHEMICAL PHYSICS Vol. 148 ( 12 ) page： 124502 2018.3

Language：English Publishing type：Research paper (scientific journal) Publisher：AMER INST PHYSICS

We have studied the diffusion of a large hard-sphere solute immersed in binary hard-sphere mixtures. We reveal how the boundary condition at the solute surface is affected by the solvent density around the solute. Solving equations for a binary compressible mixture by perturbation expansions, we obtain the boundary condition depending on the size ratio of binary solvent spheres. When the size ratio is 1: 2, the boundary condition lies close to the slip boundary condition. By contrast, when the size ratio becomes large, the boundary condition approaches the stick boundary condition with the addition of larger solvent spheres. We find that the transition to the stick boundary condition is caused by the increase in the solvent density around the solute due to an entropic effect. Published by AIP Publishing.

DOI： 10.1063/1.5025202

Effects of mesoscopic domain structure on shear viscosity of ionic liquids

Yamaguchi Tsuyoshi

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 255 page： . 2018.3

Structural Origin of Shear Viscosity of Liquid Water Reviewed

Tsuyoshi Yamaguchi

Journal of Physical Chemistry B Vol. 122 ( 3 ) page： 1255 - 1260 2018.1

Language：English Publishing type：Research paper (scientific journal) Publisher：American Chemical Society

The relation between the microscopic structure and shear viscosity of liquid water was analyzed by calculating the cross-correlation between the shear stress and the two-body density using the molecular dynamics simulation. The slow viscoelastic relaxation that dominates the steady-state shear viscosity was ascribed to the destruction of the hydrogen-bonding network structure along the compression axis of the shear distortion, which resembles the structural change under isotropic hydrostatic compression. It means that the shear viscosity of liquid water reflects the anisotropic destruction-formation dynamics of the hydrogen-bonding network.

DOI： 10.1021/acs.jpcb.7b10893

Structural Relaxation and Viscoelasticity of a Higher Alcohol with Mesoscopic Structure Reviewed

Tsuyoshi Yamaguchi, Makina Saito, Koji Yoshida, Toshio Yamaguchi, Yoshitaka Yoda, Makoto Seto

Journal of Physical Chemistry Letters Vol. 9 ( 2 ) page： 298 - 301 2018.1

Language：English Publishing type：Research paper (scientific journal) Publisher：American Chemical Society

This work studied the slow dynamics of liquids with mesoscopic structure and its relation to shear viscosity. Quasielastic scattering measurements were made on a liquid higher alcohol, 3,7-dimethyl-1-octanol, using γ-ray time-domain interferometry at a synchrotron radiation facility, SPring-8. The quasielastic scattering spectra were measured to determine the structural relaxation at two wavenumbers of the prepeak and the main peak of the static structure factor. It was found that relaxation at the prepeak is more than 10 times slower than that at the main peak. Compared with the viscoelastic spectrum, which exhibits bimodal relaxation, the relaxations at the prepeak and the main peak were shown to correspond to the slower and faster modes of the viscoelastic relaxation, respectively. This indicates that the dynamics of the mesoscopic structure represented as the prepeak contributes to the shear viscosity through the slowest mode of the viscoelastic relaxation.

DOI： 10.1021/acs.jpclett.7b02907

Development of phase separation solvent for CO2 capture by aqueous (amine plus ether) solution Reviewed

Hiroshi Machida, Kazuki Oba, Takashi Tomikawa, Takehiro Esaki, Tsuyoshi Yamaguchi, Hirotoshi Horizoe

JOURNAL OF CHEMICAL THERMODYNAMICS Vol. 113 page： 64 - 70 2017.10

Language：English Publishing type：Research paper (scientific journal) Publisher：ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD

Phase separation solvents for CO2 absorption have been designed which transform into two liquid phases after CO2 absorption. We studied seven types of amines and one type of ether-mixed solvents and observed that there are three types of phase phenomena, namely, no phase separation, phase separation with CO2 scrubbing, and initially immiscible. We also observed that these types can be classified using the hydrophobicity of the amine. The solubility of CO2 was measured in the phase separation solvent. In the lower-pressure region, the solvent formed a single liquid phase. When the amount of CO2 in solution reached a separation point, the solvent separated into two liquid phases. (C) 2017 Elsevier Ltd.

DOI： 10.1016/j.jct2017.05.043

Decoupling between the Temperature-Dependent Structural Relaxation and Shear Viscosity of Concentrated Lithium Electrolyte Reviewed

Tsuyoshi Yamaguchi, Koji Yoshida, Toshio Yamaguchi, Michihiro Nagao, Antonio Faraone, Shiro Seki

JOURNAL OF PHYSICAL CHEMISTRY B Vol. 121 ( 37 ) page： 8767 - 8773 2017.9

Language：English Publishing type：Research paper (scientific journal) Publisher：AMER CHEMICAL SOC

The intermediate scattering functions of concentrated solutions of LiPF6 in propylene carbonate (PC) were measured at various temperatures, two different wavenumbers, and three different concentrations using neutron spin echo (NSE) spectroscopy. The temperature dependence of the relaxation time was larger than that of the steady-state shear viscosity in all cases. The shear relaxation spectra were also determined at different temperatures. The normalized spectra reduced to a master curve when the frequency was multiplied by the steady-state shear-viscosity, indicating that the temperature dependence of the steady-state shear viscosity can be explained by that of the relaxation time of the shear stress. It is thus suggested that the dynamics of the shear stress is decoupled from the structural dynamics on the molecular scale.

DOI： 10.1021/acs.jpcb.7b04633

Analysis of shear viscosity and viscoelastic relaxation of liquid methanol based on molecular dynamics simulation and mode-coupling theory International coauthorship

Tsuyoshi Yamaguchi, Antonio Faraone

JOURNAL OF CHEMICAL PHYSICS Vol. 146 ( 24 ) page： 244506 2017.6

Language：English Publishing type：Research paper (scientific journal) Publisher：AMER INST PHYSICS

The role of the prepeak structure of liquid methanol in determining its shear viscosity was studied by means of molecular dynamics (MD) simulation and mode-coupling theory (MCT). The autocorrelation function of the shear stress and the intermediate scattering functions at both the prepeak and the main peak were calculated from the MD trajectories. Their comparison based on MCT suggests that the viscoelastic relaxation in the ps regime is affected by the slow structural dynamics at the prepeak. On the other hand, the MCT for molecular liquids based on the interaction-site model (site-site MCT) fails to describe the coupling between the prepeak dynamics and shear stress. The direct evaluation of the coupling between the two-body density and the shear stress reveals that the viscoelastic relaxation is actually affected by the prepeak dynamics, although the coupling is not captured by the site-site MCT. The site-site MCT works well for a model methanol without partial charges, suggesting that the failure of the site-site MCT originates from the existence of a hydrogen-bonding network structure. Published by AIP Publishing.

DOI： 10.1063/1.4990408

Analysis of Prepeak Structure of Concentrated Organic Lithium Electrolyte by Means of Neutron Diffraction with Isotopic Substitution and Molecular Dynamics Simulation Reviewed

Tsuyoshi Yamaguchi, Koji Yoshida, Toshio Yamaguchi, Yasuo Kameda, Kazutaka Ikeda, Toshiya Otomo

JOURNAL OF PHYSICAL CHEMISTRY B Vol. 121 ( 21 ) page： 5355 - 5362 2017.6

Language：English Publishing type：Research paper (scientific journal) Publisher：AMER CHEMICAL SOC

The prepeak structure of a 3 mol/kg solution,of LiCIC)(4) in propylene carlitinate (PC) was studied by both neutron diffraction with isotopic substitution (NDIS) and molecular dynamics (MD) simulation. The NDIS data showed that the intensity of the prepeak decreases experimentally with an increase in the scattering length of the lithium atom from Li-7 to Li-6 in PC-d(6). On the other hand, although the prepeak was observed in solutions of both PC-d(6) and PC-h(6), it disappears when the 1:1 mixture of PC-d(6) and PC-h(6) was used as the solvent. The prepeak structure and its variation with the isotope substitution were reproduced well by MD simulation, and they were explained in terms of the contrast of the scattering length densities of the ionic and nonpolar domains.

DOI： 10.1021/acs.jpcb.7b00686