The heterogeneous distribution of the liquid phase in partially filled porous glasses and its effect on self-diffusion

2007 ◽  
Vol 25 (4) ◽  
pp. 453-456 ◽  
Author(s):  
German Farrher ◽  
Ioan Ardelean ◽  
Rainer Kimmich
Keyword(s):  
Liquid Phase ◽  
Heterogeneous Distribution ◽  
Porous Glasses ◽  
Self Diffusion

scholarly journals Insights into the interactions and dynamics of a DES formed by phenyl propionic acid and choline chloride

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Parisa Jahanbakhsh Bonab ◽  
Alireza Rastkar Ebrahimzadeh ◽  
Jaber Jahanbin Sardroodi
Keyword(s):  
Diffusion Coefficient ◽  
Liquid Phase ◽  
Propionic Acid ◽  
Structural Parameters ◽  
Choline Chloride ◽  
Self Diffusion ◽  
Phenyl Propionic Acid ◽  
Donor And Acceptor ◽  
Experimental Values ◽  
Self Diffusion Coefficient

AbstractDeep eutectic solvents (DESs) have received much attention in modern green chemistry as inexpensive and easy to handle analogous ionic liquids. This work employed molecular dynamics techniques to investigate the structure and dynamics of a DES system composed of choline chloride and phenyl propionic acid as a hydrogen bond donor and acceptor, respectively. Dynamical parameters such as mean square displacement, liquid phase self-diffusion coefficient and viscosity are calculated at the pressure of 0.1 MPa and temperatures 293, 321 and 400 K. The system size effect on the self-diffusion coefficient of DES species was also examined. Structural parameters such as liquid phase densities, hydrogen bonds, molecular dipole moment of species, and radial and spatial distribution functions (RDF and SDF) were investigated. The viscosity of the studied system was compared with the experimental values recently reported in the literature. A good agreement was observed between simulated and experimental values. The electrostatic and van der Waals nonbonding interaction energies between species were also evaluated and interpreted in terms of temperature. These investigations could play a vital role in the future development of these designer solvents.

Simulation of self-diffusion of point-like and finite-size tracers in stochastically reconstructed Vycor porous glasses

1999 ◽  
Vol 111 (6) ◽  
pp. 2735-2743 ◽  
Author(s):  
M. E. Kainourgiakis ◽  
E. S. Kikkinides ◽  
A. K. Stubos ◽  
N. K. Kanellopoulos
Keyword(s):  
Finite Size ◽  
Porous Glasses ◽  
Self Diffusion

Self diffusion of carbon monoxide in liquid phase

Physica ◽  
1964 ◽  
Vol 30 (5) ◽  
pp. 953-956 ◽  
Author(s):  
G. Cini Castagnoli
Keyword(s):  
Carbon Monoxide ◽  
Liquid Phase ◽  
Self Diffusion

Solid-Liquid Phase Diagrams of3He in Porous Glasses

1987 ◽  
Vol 26 (S3-1) ◽  
pp. 303 ◽  
Author(s):  
Yasushi Kondo ◽  
Yasuharu Kodama ◽  
Yutaka Hirayoshi ◽  
Takao Mizusaki ◽  
Akira Hirai ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Phase Diagrams ◽  
Porous Glasses ◽  
Solid Liquid

Concentration-Dependent Self-Diffusion of Water in Aqueous Solutions of Lithium Chloride Confined to Porous Glasses

2013 ◽  
Vol 44 (7) ◽  
pp. 827-836 ◽  
Author(s):  
S. Beckert ◽  
M. Gratz ◽  
J. Kullmann ◽  
D. Enke ◽  
F. Stallmach
Keyword(s):  
Aqueous Solutions ◽  
Lithium Chloride ◽  
Porous Glasses ◽  
Self Diffusion
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