Refined Classical Force Field for Choline Chloride and Ethylene Glycol Mixtures over Wide Composition Range

Author(s):  
Yong Zhang ◽  
Henry Squire ◽  
Burcu Gurkan ◽  
Edward J. Maginn
CrystEngComm ◽  
2021 ◽  
Author(s):  
Hajime Wagata ◽  
Ginji Harada ◽  
Eriko Nakashima ◽  
Motoki Asaga ◽  
Tomoaki Watanabe ◽  
...  

ZnO mesocrystals have been explored for various physical and chemical applications. In spite of effort by a number of researches, it is still difficult to grow specific crystal shapes in...


Cerâmica ◽  
2006 ◽  
Vol 52 (321) ◽  
pp. 22-30 ◽  
Author(s):  
M. L. F. Nascimento ◽  
E. Nascimento ◽  
W. M. Pontuschka ◽  
M. Matsuoka ◽  
S. Watanabe

We collected and analyzed literature data on ionic conductivity sigma and activation energy E A in the binary sodium silicate system in a wide composition range. The Anderson and Stuart model has been considered to describe the decreasing tendency of activation energy E A with alkali concentration in this system. In this analysis were considered experimental parameters, such as shear modulus G and relative dielectric permittivity epsilon. A general conductivity rule is found in 194 of 205 glasses, when one plots log sigma vs. E A/kB T, where kB is the Boltzmann constant and T is the absolute temperature. This fact means that the arrhenian relation has universal uniqueness of form sigma = sigma (E A,T) in wide Na2O composition range. The results also show that there is strong correlation by more than 19 orders of magnitude on conductivity with E A/kBT. An explanation for this behavior links ionic conductivity and microscopic structure. The problem of phase separation in this system is also considered.


2019 ◽  
Vol 293 ◽  
pp. 111458
Author(s):  
O.S. Roik ◽  
V.P. Kazimirov ◽  
O.M. Yakovenko ◽  
V.E. Sokolskii ◽  
N.V. Golovataya ◽  
...  

Author(s):  
W. V. Lundin ◽  
A. V. Sakharov ◽  
A. F. Tsatsul’nikov ◽  
E. E. Zavarin ◽  
A. I. Besulkin ◽  
...  

2003 ◽  
Vol 423 (2) ◽  
pp. 218-223 ◽  
Author(s):  
A.N Pohorilyi ◽  
A.F Kravets ◽  
E.V Shypil’ ◽  
D.Y Pod'yalovsky ◽  
A.Ya Vovk ◽  
...  

2016 ◽  
Vol 18 (3) ◽  
pp. 826-833 ◽  
Author(s):  
Xavier Marset ◽  
Juana M. Pérez ◽  
Diego J. Ramón

The synthesis of different tetrahydroisoquinolines using choline chloride : ethylene glycol as a deep eutectic solvent (DES) and copper(ii) oxide impregnated on magnetite as a catalyst has been accomplished successfully.


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