High-LET Radiolysis of Liquid Water with1H+,4He2+,12C6+, and20Ne9+Ions:  Effects of Multiple Ionization

2005 ◽  
Vol 109 (29) ◽  
pp. 6406-6419 ◽  
Author(s):  
Jintana Meesungnoen ◽  
Jean-Paul Jay-Gerin
Author(s):  
Abdullah Muhammad Zakaria ◽  
Phantira Lertnaisat ◽  
Muhammad Mainul Islam ◽  
Jintana Meesungnoen ◽  
Yosuke Katsumura ◽  
...  

Monte Carlo track chemistry simulations were used to investigate the effects of multiple ionization (MI) of water on the yields (<i>G</i>-values) of the ferrous sulfate (Fricke) dosimeter which was irradiated with low-energy α and lithium ion recoils from the <sup>10</sup>B(<i>n</i>,α)<sup>7</sup>Li nuclear reaction as a function of temperature from 25 to 350 °C. Calculations were performed individually for 1.47 MeV α-particles and 0.84 MeV lithium nuclei with dose-average linear energy transfer (LET) values of ~196 and 225 keV/μm at 25 °C, respectively. The total yields were obtained by summing the <i>G</i>-values for each recoil α and Li ion weighted with its fraction of the total energy absorbed. At room temperature, our <i>G</i>(Fe<sup>3+</sup>) values calculated under aerated and deaerated conditions only agreed well with the experimental results, provided the multiple ionization of water was incorporated in the simulations. This strongly supports the importance of the role of MI of water molecules in the high-LET radiolysis of water. We also simulated the effects of MI of water on <i>G</i>-values for the primary species of the radiolysis of deaerated 0.4 M H<sub>2</sub>SO<sub>4</sub> aqueous solutions by <sup>10</sup>B(<i>n</i>,α)<sup>7</sup>Li recoils. As with the Fricke dosimeter, the best agreement between experiment and simulation was found at 25 °C when the MI of water was included in the simulations. It was also shown that <i>G</i>(Fe<sup>3+</sup>) decreases slightly as a function of temperature over the range of 25–350 °C. However, at elevated temperatures, no experimental data were available with which to compare our results.


2003 ◽  
Vol 377 (3-4) ◽  
pp. 419-425 ◽  
Author(s):  
Jintana Meesungnoen ◽  
Abdelali Filali-Mouhim ◽  
Nitaya Snitwongse Na Ayudhya ◽  
Samlee Mankhetkorn ◽  
Jean-Paul Jay-Gerin

1987 ◽  
Vol 48 (C9) ◽  
pp. C9-263-C9-266 ◽  
Author(s):  
S. T. MANSON ◽  
R. D. DUBOIS

2019 ◽  
Author(s):  
Asmus Ougaard Dohn ◽  
Elvar Jónsson ◽  
Hannes Jonsson

The manuscript analyzes the accuracy of our recently developed reciprocal polarizable embedding scheme, where a density functional theory model of the QM region is coupled to a dipole- and quadrupole polarizable water potential of the MM region. We present calculations of water clusters and liquid water where we analyze the energy, atomic forces and total polarization to demonstrate that artifacts in energy and polarization introduced by the QM/MM coupling are small and well-behaved. Furthermore, our methodology improves the consistency of the structure of optimized water hexamer geometries when compared to results obtained with models that neglect polarization. Additionally, the manuscript provides evidence that our coupling scheme eliminates artifacts in the structure of liquid water obtained with simpler electrostatic embedding models.


2013 ◽  
Vol 47 ◽  
pp. 167-178 ◽  
Author(s):  
M. P. Andreev

Lichen flora and vegetation in the vicinity of the Russian base «Molodyozhnaya» (Enderby Land, Antarctica) were investigated in 2010–2011 in details for the first time. About 500 specimens were collected in 100 localities in all available ecotopes. The lichen flora is the richest in the region and numbers 39 species (21 genera, 11 families). The studied vegetation is very poor and sparse, but typical for coastal oases of the Antarctic continent. The poorness is caused by the extremely harsh climate conditions, insufficient availability of liquid water, ice-free land, and high insolation levels. The dominant and most common lichens are Rinodina olivaceobrunnea, Amandinea punctata, Candelariella flava, Physcia caesia, Caloplaca tominii, Lecanora expectans, Caloplaca ammiospila, Lecidea cancriformis, Pseudephebe minuscula, Lecidella siplei, Umbilicaria decussata, Buellia frigida, Lecanora fuscobrunnea, Usnea sphacelata, Lepraria and Buellia spp.


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