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

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 The Conformation of a Ribose Derivative in Aqueous Solution: A Neutron-Scattering and Molecular Dynamics Study

Biopolymers ◽  
2013 ◽  
Vol 99 (10) ◽  
pp. 739-745 ◽  
Author(s):  
Philip E. Mason ◽  
George W. Neilson ◽  
Marie-Louise Saboungi ◽  
John W. Brady
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Neutron Scattering

scholarly journals Neutron Scattering Techniques for Studying Metal Complexes in Aqueous Solution

ACS Omega ◽  
2021 ◽  
Author(s):  
Franco Scalambra ◽  
Silvia Imberti ◽  
Nicole Holzmann ◽  
Leonardo Bernasconi ◽  
Antonio Romerosa
Keyword(s):  
Aqueous Solution ◽  
Metal Complexes ◽  
Neutron Scattering

Molecular Dynamics Study of Aqueous Solution of Polyethylene Oxide: Critical Test of Force Field Models

2013 ◽  
Vol 11 (4) ◽  
pp. 371-383 ◽  
Author(s):  
Yong-Lei Wang ◽  
Rochelle S. Lawrence ◽  
Zhong-Yuan Lu ◽  
Aatto Laaksonen
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Force Field ◽  
Polyethylene Oxide ◽  
Critical Test
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