scholarly journals Structure and Dynamics of Potassium Chloride in Aqueous Solution

2014 ◽  
Vol 118 (31) ◽  
pp. 9404-9413 ◽  
Author(s):  
Julien O. Sindt ◽  
Andrew J. Alexander ◽  
Philip J. Camp
Keyword(s):  
Aqueous Solution ◽  
Potassium Chloride ◽  
Structure And Dynamics

Molecular dynamics simulation of homogeneous nucleation of supersaturated potassium chloride (KCl) in aqueous solutions

CrystEngComm ◽  
2019 ◽  
Vol 21 (48) ◽  
pp. 7507-7518 ◽  
Author(s):  
Soroush Ahmadi ◽  
Yuanyi Wu ◽  
Sohrab Rohani
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Potassium Chloride ◽  
Homogeneous Nucleation ◽  
Md Simulation ◽  
Crystal Nucleation ◽  
Dynamics Simulation

Molecular dynamics (MD) simulation is used to investigate the mechanism of crystal nucleation of potassium chloride (KCl) in a supersaturated aqueous solution at 293 K and 1 atm.

scholarly journals Solute Specific Perturbations to Water Structure and Dynamics in Tertiary Aqueous Solution

2020 ◽  
Vol 124 (48) ◽  
pp. 10983-10993
Author(s):  
Harrison Laurent ◽  
Daniel L. Baker ◽  
Alan K. Soper ◽  
Michael E. Ries ◽  
Lorna Dougan
Keyword(s):  
Aqueous Solution ◽  
Water Structure ◽  
Structure And Dynamics

Structure and dynamics of the UO+2 ion in aqueous solution: an ab initio QMCF-MD study

2010 ◽  
Vol 12 (37) ◽  
pp. 11736 ◽  
Author(s):  
Robert J. Frick ◽  
Thomas S. Hofer ◽  
Andreas B. Pribil ◽  
Bernhard R. Randolf ◽  
Bernd M. Rode
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Structure And Dynamics

Thermal Anomaly in the Temperature Dependence of the Energy–Volume Coefficient of Aqueous KCl Solutions

1973 ◽  
Vol 51 (12) ◽  
pp. 1885-1888 ◽  
Author(s):  
Ikchoon Lee ◽  
J. B. Hyne
Keyword(s):  
Aqueous Solution ◽  
Temperature Dependence ◽  
Potassium Chloride ◽  
Direct Measurement ◽  
Pure Water ◽  
Pressure Coefficient ◽  
Thermal Anomaly ◽  
Thermal Pressure ◽  
Temperature Range ◽  
Volume Coefficient

The temperature dependence of the energy–volume coefficient of pure water and of aqueous potassium chloride solutions as a function of concentration over the temperature range 10–50 °C has been determined by direct measurement of constant volume thermal–pressure coefficient. The results show that a thermal anomaly exists in the energy–volume coefficient of aqueous solution in the temperature range 30–40 °C and becomes more pronounced as the concentration of solute is increased.

Molecular Dynamics and Neutron Scattering Studies of Potassium Chloride in Aqueous Solution

2019 ◽  
Vol 123 (50) ◽  
pp. 10807-10813
Author(s):  
Philip E. Mason ◽  
Letizia Tavagnacco ◽  
Marie-Louise Saboungi ◽  
Thomas Hansen ◽  
Henry E. Fischer ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Neutron Scattering ◽  
Potassium Chloride

Structure and Dynamics of Composite Anions in Aqueous Solution

2007 ◽  
Author(s):  
Andreas B. Pribil ◽  
Viwat Vchirawongkwin ◽  
Thomas S. Hofer ◽  
Bernhard R. Randolf ◽  
Theodore E. Simos ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Structure And Dynamics

Structure and Dynamics of a Peptidoglycan Monomer in Aqueous Solution Using NMR Spectroscopy and Simulated Annealing Calculations

1997 ◽  
Vol 119 (9) ◽  
pp. 2212-2223 ◽  
Author(s):  
Hans Matter ◽  
László Szilágyi ◽  
Péter Forgó ◽  
Željko Marinić ◽  
Branimir Klaić
Keyword(s):  
Aqueous Solution ◽  
Simulated Annealing ◽  
Nmr Spectroscopy ◽  
Structure And Dynamics
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