We investigate the effect of nuclear quantum effects in liquid hydrogen at the thermodynamic conditions of room temperature and a pressure of 490GPa. The calculated pair-correlation function shows that the nuclear quantum effects are quite significant for the correct description of liquid atomic ...
aPressure and temperature dependence on the hydrogen bonding and dynamics of ammonium ion in liquid water: A molecular dynamics simulations study 压力和结合的氢气和在明亮的水中的铵离子的力学上的温度的依赖:一门分子的力学模拟学科[translate]
The hydrogen bond structure of liquid methanol was investigated as a function of pressure and temperature up to 2.8 kbar and from 297 to 413 K. Chemical shifts of the CH{sub 3} and OH groups were monitored throughout this pressure and temperature regime, and the chemical shift difference bet...
In this light, this work aims to unravel this gap of knowledge on safety aspects involving liquid hydrogen through a numerical approach. More specifically, the top events that arose from the accidental release of liquid hydrogen in the absence of ignition have been modeled. A proper evaporation ...
The dependence of nitrobenzene hydrogenation rate upon hydrogen pressure and temperature in 2-propanol-water-aniline three component solvent over skeleton nickel has been studied. The investigation of the effect of pressure on the rate of the reaction where done in the region is corresponding to the...
The Journal of Chemical ThermodynamicsCalado. J.C.G. and Staveley, L.A.K., 1978. The triple point temperature and pressure of hydrogen bromide and the vapor pressure of the liquid to about 205 K. J. Chem. Thermodyn., 10: 897-899....
Use of intermolecular hydrogen bonding for the induction of liquid crystallinity in the side chain of polysiloxanes A new type of liquid crystalline side chain polysiloxane has been built through self-assembly via intermolecular hydrogen bonding between H-bond donor and ... U Kumar,T Kato,JMJ Frec...
Based on the thermodynamic relationship, for a known temperature and relative humidity for each time interval, the total suction of the sample can be calculated by Kelvin equation using Eq. (1)34. $$\psi_{t} = - \frac{RT}{{vM}}\ln \left( {\frac{RH}{{100}}} \right)$$ (1) ...
In the present work, in order to investigate the electronic excited-state intermolecular hydrogen bonding between the chromophore coumarin 153 (C153) and the room-temperature ionic liquid N,N-dimethylethanolammonium formate (DAF), both the geometric structures and the infrared spectra of the hydrogen...
Nevertheless, the stability of salt-bearing ice is not known at conditions typical of water-rich super-Earths, i.e., up to a few megabars and few thousand Kelvin. The inclusion mechanism of NaCl in bcc ice remains debated and its influence on the development of the superionicity have not...