Theory of transport in liquid metals. I. Calculation of self‐diffusion coefficients

1973 ◽  
Vol 59 (1) ◽  
pp. 15-25 ◽  
Author(s):  
P. Protopapas ◽  
Hans C. Andersen ◽  
N. A. D. Parlee
Keyword(s):  
Diffusion Coefficients ◽  
Liquid Metals ◽  
Self Diffusion

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

2013 ◽  
Vol 22 (8) ◽  
pp. 083101 ◽  
Author(s):  
Yuan-Yuan Ju ◽  
Qing-Ming Zhang ◽  
Zi-Zheng Gong ◽  
Guang-Fu Ji
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Diffusion Coefficients ◽  
Liquid Metals ◽  
Dynamics Simulation ◽  
Self Diffusion

Transport Coefficients of Expanded Fluid Metals

1977 ◽  
Vol 32 (10) ◽  
pp. 1146-1151 ◽  
Author(s):  
H. von Tippelskirch
Keyword(s):  
Diffusion Coefficients ◽  
Liquid Metals ◽  
Transport Coefficients ◽  
The Self ◽  
Enskog Theory ◽  
Interaction Forces ◽  
Self Diffusion ◽  
Coexistence Line ◽  
Modified Enskog Theory

The viscosities and the self-diffusion coefficients of expanded fluid mercury and caesium have been calculated as a function of pressure and temperature up to their critical points with the aid of a modified Enskog theory. The results are compared with the transport coefficients of other liquid metals and of non-polar and polar fluids applying the principle of corresponding states. The thermal conductivities of fluid metals along the full coexistence line are also discussed. A classification of the transport phenomena in fluids with various types of interaction forces - including expanded fluid metals - is given

scholarly journals Theoretical Modelling of Ion Exchange Processes in Glass: Advances and Challenges

2021 ◽  
Vol 11 (11) ◽  
pp. 5070
Author(s):  
Xesús Prieto-Blanco ◽  
Carlos Montero-Orille
Keyword(s):  
Ion Exchange ◽  
Diffusion Coefficients ◽  
Molten Salts ◽  
Theoretical Modelling ◽  
Copper Films ◽  
Theoretical Frameworks ◽  
Self Diffusion ◽  
Exchange Processes ◽  
The One ◽  
Made In

In the last few years, some advances have been made in the theoretical modelling of ion exchange processes in glass. On the one hand, the equations that describe the evolution of the cation concentration were rewritten in a more rigorous manner. This was made into two theoretical frameworks. In the first one, the self-diffusion coefficients were assumed to be constant, whereas, in the second one, a more realistic cation behaviour was considered by taking into account the so-called mixed ion effect. Along with these equations, the boundary conditions for the usual ion exchange processes from molten salts, silver and copper films and metallic cathodes were accordingly established. On the other hand, the modelling of some ion exchange processes that have attracted a great deal of attention in recent years, including glass poling, electro-diffusion of multivalent metals and the formation/dissolution of silver nanoparticles, has been addressed. In such processes, the usual approximations that are made in ion exchange modelling are not always valid. An overview of the progress made and the remaining challenges in the modelling of these unique processes is provided at the end of this review.

scholarly journals Self-Diffusion Coefficients, Aggregation Numbers and the Range of Existence of Spherical Micelles of Oxyethylated Alkylphenols

2021 ◽  
Author(s):  
Victor P. Arkhipov ◽  
Natalia A. Kuzina ◽  
Andrei Filippov
Keyword(s):  
Aqueous Solutions ◽  
Diffusion Coefficients ◽  
The Self ◽  
Self Diffusion ◽  
Aggregation Numbers ◽  
Temperature Ranges ◽  
Spherical Micelles ◽  
Limiting Values

AbstractAggregation numbers were calculated based on measurements of the self-diffusion coefficients, the effective hydrodynamic radii of micelles and aggregates of oxyethylated alkylphenols in aqueous solutions. On the assumption that the radii of spherical micelles are equal to the lengths of fully extended neonol molecules, the limiting values of aggregation numbers corresponding to spherically shaped neonol micelles were calculated. The concentration and temperature ranges under which spherical micelles of neonols are formed were determined.

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