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Journal Articles

Radiocesium interaction with clay minerals; Theory and simulation advances Post-Fukushima

Okumura, Masahiko; Kerisit, S.*; Bourg, I. C.*; Lammers, L. N.*; Ikeda, Takashi*; Sassi, M.*; Rosso, K. M.*; Machida, Masahiko

Journal of Environmental Radioactivity, 189, p.135 - 145, 2018/09

 Times Cited Count:31 Percentile:90.13(Environmental Sciences)

no abstracts in English

Journal Articles

A Thermodynamic model for ZrO$$_{2}$$(am) solubility at 25$$^{circ}$$C in the Ca$$^{2+}$$-Na$$^{+}$$-H$$^{+}$$-Cl$$^{-}$$-OH$$^{-}$$-H$$_{2}$$O system; A Critical review

Rai, D.*; Kitamura, Akira; Altmaier, M.*; Rosso, K. M.*; Sasaki, Takayuki*; Kobayashi, Taishi*

Journal of Solution Chemistry, 47(5), p.855 - 891, 2018/05

 Times Cited Count:5 Percentile:8.63(Chemistry, Physical)

We have critically reviewed experimental data for Zr hydrolysis constant values for formation of several mononuclear and polynuclear species and a solubility product value for ZrO$$_{2}$$(am). We have determined new/revised values for the formation constants of Zr(OH)$$_{2}$$$$^{2+}$$, Zr(OH)$$_{4}$$(aq), Zr(OH)$$_{5}$$$$^{-}$$, Zr(OH)$$_{6}$$$$^{2-}$$ and Ca$$_{3}$$Zr(OH)$$_{6}$$$$^{4+}$$, and the solubility product for ZrO$$_{2}$$(am) after the critical review.

Journal Articles

Reply to "Comments on radiation-damage resistance in phyllosilicate minerals from first principles and implications for radiocesium and strontium retention in soils"

Sassi, M.*; Rosso, K. M.*; Okumura, Masahiko; Machida, Masahiko

Clays and Clay Minerals, 65(5), p.371 - 375, 2017/11

 Times Cited Count:2 Percentile:82.87(Chemistry, Physical)

no abstracts in English

Journal Articles

Transmutation effects on long-term Cs retention in phyllosilicate minerals from first principles

Sassi, M.*; Okumura, Masahiko; Machida, Masahiko; Rosso, K. M.*

Physical Chemistry Chemical Physics, 19(39), p.27007 - 27014, 2017/10

 Times Cited Count:4 Percentile:24.77(Chemistry, Physical)

no abstracts in English

Journal Articles

A Thermodynamic model for the solubility of HfO$$_{2}$$(am) in the aqueous K$$^{+}$$ - HCO$$_{3}$$$$^{-}$$ - CO$$_{3}$$$$^{2-}$$ - OH$$^{-}$$ - H$$_{2}$$O system

Rai, D.*; Kitamura, Akira; Rosso, K.*

Radiochimica Acta, 105(8), p.637 - 647, 2017/08

 Times Cited Count:1 Percentile:15.39(Chemistry, Inorganic & Nuclear)

Solubility of HfO$$_{2}$$(am) was determined as a function of KHCO$$_{3}$$ concentrations ranging from 0.001 mol.kg$$^{-1}$$ to 0.1 mol.kg$$^{-1}$$. The solubility of HfO$$_{2}$$(am) increased dramatically with the increase in KHCO$$_{3}$$ concentrations, indicating that Hf(IV) makes strong complexes with carbonate. Thermodynamic equilibrium constants for the formation of Hf-carbonate complexes were determined using both the Pitzer and SIT models. The dramatic increase in Hf concentrations with the increase in KHCO$$_{3}$$ concentrations can best be described by the formation of Hf(OH-)$$_{2}$$(CO$$_{3}$$)$$_{2}$$$$^{2-}$$ and Hf(CO$$_{3}$$)$$_{5}$$$$^{6-}$$. The log$$_{10}$$ K$$^{0}$$ values for the reactions [Hf$$^{4+}$$ + 2 CO$$_{3}$$$$^{2-}$$ +2 OH$$^{-}$$ $$leftrightarrow $$ Hf(OH)$$_{2}$$(CO$$_{3}$$)$$_{2}$$$$^{2-}$$] and [Hf$$^{4+}$$ + 5 CO$$_{3}$$$$^{2-}$$ $$leftrightarrow $$ Hf(CO$$_{3}$$)$$_{5}$$$$^{6-}$$], based on the SIT model, were determined to be 44.53 $$pm$$ 0.46 and 41.53 $$pm$$ 0.46, respectively.

Journal Articles

Origin of 6-fold coordinated aluminum at (010)-type pyrophyllite edges

Okumura, Masahiko; Sassi, M.*; Rosso, K. M.*; Machida, Masahiko

AIP Advances (Internet), 7(5), p.055211_1 - 055211_9, 2017/05

 Times Cited Count:5 Percentile:34.53(Nanoscience & Nanotechnology)

no abstracts in English

Journal Articles

Molecular simulation of cesium adsorption at the basal surface of phyllosilicate minerals

Kerisit, S.*; Okumura, Masahiko; Rosso, K. M.*; Machida, Masahiko

Clays and Clay Minerals, 64(4), p.389 - 400, 2016/08

 Times Cited Count:20 Percentile:74.88(Chemistry, Physical)

no abstracts in English

Journal Articles

Issues concerning the determination of solubility products of sparingly soluble crystalline solids; Solubility of HfO$$_{2}$$(cr)

Rai, D.*; Kitamura, Akira; Rosso, K. M.*; Sasaki, Takayuki*; Kobayashi, Taishi*

Radiochimica Acta, 104(8), p.583 - 592, 2016/08

 Times Cited Count:4 Percentile:45.9(Chemistry, Inorganic & Nuclear)

Solubility studies were conducted with HfO$$_{2}$$(cr) solid as a function of acid concentrations. These studies involved (1) using two different amounts of the solid phase, (2) acid washing the bulk solid phase, (3) preheating the solid phase to 1400 $$^{circ}$$C, and (4) heating amorphous HfO$$_{2}$$(am) suspensions to 90 $$^{circ}$$C to ascertain whether the HfO$$_{2}$$(am) converts to HfO$$_{2}$$(cr) and to determine the solubility from the oversaturation direction. Based on the results of these treatments it is concluded that the HfO$$_{2}$$(cr) contains a small fraction of less crystalline, but not amorphous, material [HfO$$_{2}$$(lcr)] and this, rather than the HfO$$_{2}$$(cr), is the solubility-controlling phase in the range of experimental variables investigated in this study. The solubility data are interpreted using both the Pitzer and SIT models. The log$$_{10}$$ of the solubility product of HfO$$_{2}$$(cr) is estimated. The observation of a small fraction of less crystalline higher solubility material is consistent with the general picture that mineral surfaces are often structurally and/or imperfect leading to a higher solubility than the bulk crystalline solid. This study stresses the urgent need, during interpretation of solubility data, of taking precautions to make certain that the observed solubility behavior for sparingly-soluble solids is assigned to the proper solid phase.

Journal Articles

Radiation-damage resistance in phyllosilicate minerals from first principles and implications for radiocesium and strontium retention in soils

Sassi, M.*; Rosso, K. M.*; Okumura, Masahiko; Machida, Masahiko

Clays and Clay Minerals, 64(2), p.108 - 114, 2016/04

 Times Cited Count:5 Percentile:26.06(Chemistry, Physical)

no abstracts in English

Journal Articles

Shell evolution beyond $$N$$=40; $$^{69,71,73}$$Cu

Sahin, E.*; Doncel, M.*; Sieja, K.*; De Angelis, G.*; Gadea, A.*; Quintana, B.*; G$"o$rgen, A.*; Modamio, V.*; Mengoni, D.*; Valiente-Dob$'o$n, J. J.*; et al.

Physical Review C, 91(3), p.034302_1 - 034302_9, 2015/03

 Times Cited Count:20 Percentile:82.78(Physics, Nuclear)

Oral presentation

Adsorption properties of cesium to micaceous clay minerals; Molecular modeling using density functional theory calculations

Okumura, Masahiko; Nakamura, Hiroki; Machida, Masahiko; Sassi, M.*; Rosso, K.*

no journal, , 

no abstracts in English

Oral presentation

Addressing radiocesium contamination in Fukushima waste soil through the lens of systematic numerical simulations

Okumura, Masahiko; Kerisit, S.*; Bourg, I.*; Lammers, L.*; Ikeda, Takashi*; Sassi, M.*; Rosso, K.*; Machida, Masahiko

no journal, , 

no abstracts in English

12 (Records 1-12 displayed on this page)
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