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Kobayashi, Takanori; Yokoyama, Keiichi
Journal of Nuclear Science and Technology, 53(10), p.1489 - 1493, 2016/10
Times Cited Count:6 Percentile:49.29(Nuclear Science & Technology)Theoretical investigation for the adsorption of the cesium atom (Cs), the cesium iodide molecule (CsI), the iodine atom (I), the cesium cation (Cs), and the iodide anion (I) onto the surface of a single fullerene molecule (C) are reported. A hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP) is employed. The adsorption energies, i.e., the opposite of enthalpy change through adsorption, are calculated to be 34, 3, 2, 11, and 12 kcal mol for Cs, CsI, I, Cs, and I, respectively. The equilibrium constant for Cs is calculated to be 710 atm at the temperature of 1000 K and is seven orders of magnitude higher than that for CsI, indicating that the C molecule adsorb the Cs atom highly selectively against the CsI molecule.
Nagasaki, Shinya*
JNC TJ8400 2000-004, 32 Pages, 2000/02
Equilibrium and kinetics of sorption of NpO on illite were investigated at pH = 6 by using the differential pulse anodic stripping voltammetry method and the spectroscopic method, respectively. It was found that the sorption isotherm obtained was fitted better by the Langmuir-Freundlich type equation than by the Langmuir equation. The heterogeneity coefficient was 0.89 0.05 and the half width at half maximum (HWHM) of affinity spectrum was 0.19 log unit, indicating that the surfacc of illite used has a low degree of heterogeneity. The kinetic spectra indicated that the sorption of NpO occurs only at the outer surfacc. The mean HWHM of the kinetic spectra was 0.18 log unit. This also proves that the sorption kinetics of NpO on the illite used is controlled by the same heterogeneity of the sorption sites. From the dependence of mean rate constants on temperature, a mean apparent activation enthalpy and a mean apparent activation entropy were evaluated at 373 kJ/mol and - 69 7 J/Kmol, respectively. This value of enthalpy suggests that the sorption is not controlled by diffusion through the hydrodynamic film around the illite. Equilibrium and kinetics of sorption of NpO and Np(V) carbonate complexes (mainly NpOCO) on Na-montmorillonite were also examined by using same technique.
Tanaka, Tadao; Sakamoto, Yoshiaki; Muraoka, Susumu
JAERI-Conf 99-004, p.662 - 673, 1999/03
no abstracts in English
*; Yamamoto, Tadatoshi; ; Takebe, Shinichi; Ogawa, Hiromichi; Tanaka, Tadao; Mukai, Masayuki; Komiya, Tomokazu; S.Li*; Z.Wang*; et al.
JAERI-Research 94-009, 44 Pages, 1994/07
no abstracts in English
Sazarashi, Masami*; Ikeda, Yasuhisa*; Kumagai, Mikio*
PNC TJ1564 93-002, 23 Pages, 1993/02
None
Shibutani, Tomoki; Yoshikawa, Hideki; Sato, Haruo; Yui, Mikazu; Umeki, Hiroyuki; Ishiguro, Katsuhiko
PNC TN8410 92-163, 51 Pages, 1992/09
None
Yamanishi, Toshihiko; Kudo, Hiroshi
Journal of Chromatography, 475, p.125 - 134, 1989/00
Times Cited Count:9 Percentile:48.97(Chemistry, Analytical)no abstracts in English
; ; Naruse, Yuji
JAERI-M 8648, 29 Pages, 1980/01
no abstracts in English
Takahatake, Yoko; Shibata, Atsuhiro; Koma, Yoshikazu; Nakajima, Yasuo; Sano, Kyohei*; Arai, Tsuyoshi*; Hashimoto, Jun*; Kubo, Kaname*; Kaneko, Masashi*
no journal, ,
no abstracts in English