Semimicroscopic Theory for Underscreening-Induced Anomalous Migration–Diffusion Coupling

2021 ◽  
Author(s):  
Rama Kant ◽  
Neha Goswami
Keyword(s):  
Diffusion Coupling

A dynamic reaction density functional theory for interfacial reaction-diffusion coupling at nanoscale

2021 ◽  
Vol 236 ◽  
pp. 116513 ◽  
Author(s):  
Weiqiang Tang ◽  
Hongping Yu ◽  
Teng Zhao ◽  
Leying Qing ◽  
Xiaofei Xu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Interfacial Reaction ◽  
Density Functional ◽  
Reaction Diffusion ◽  
Dynamic Reaction ◽  
Functional Theory ◽  
Diffusion Coupling

scholarly journals Time dependence of advection-diffusion coupling for nanoparticle ensembles

2021 ◽  
Vol 6 (6) ◽  
Author(s):  
Alexandre Vilquin ◽  
Vincent Bertin ◽  
Pierre Soulard ◽  
Gabriel Guyard ◽  
Elie Raphaël ◽  
...  
Keyword(s):  
Time Dependence ◽  
Diffusion Coupling ◽  
Advection Diffusion

A Mechano-Chemical Coupling for Hydrogen Diffusion in Metals Based on a Thermodynamic Approach

2014 ◽  
Vol 353 ◽  
pp. 286-291 ◽  
Author(s):  
Nicolas Creton ◽  
Steeve Dejardin ◽  
B. Grysakowski ◽  
Virgil Optasanu ◽  
Tony Montesin
Keyword(s):  
Hydrogen Diffusion ◽  
Thermodynamic Approach ◽  
Finite Element Code ◽  
Diffusion Mode ◽  
Significant Progress ◽  
Diffusion Coupling ◽  
Metal Parts ◽  
Stress Diffusion ◽  
Steel Tank ◽  
Chemical Coupling

Hydrogen diffusion in metals is still an ongoing topic of research due to its technical relevance (hydrogen embrittlement, hydrogen storage...). In the last decades, significant progress in understanding the time evolution of the hydrogen concentration in solids was completed. This paper presents a modeling of hydrogen diffusion with a general and thermodynamically based diffusion concept coupled with mechanical and chemical aspects. This model was previously used to simulate the oxidation of a metal [1][2]. This concept has been upgraded to offer a thoroughly macroscopic behavior law used to simulate hydrogen diffusion in metal parts under mechanical loadings. The thermodynamic approach of the stress-diffusion coupling was implemented in a finite element code in order to study the hydrogen diffusion mode into a strained metal. Simulations were performed on a cylindrical austenitic steel tank under important internal pressure. The results of this study allow us to understand how hydrogen diffusion and mechanical stresses are mutually induced and modified.

scholarly journals Concentration Distribution of Chloride Ion under the Influence of the Convection-Diffusion Coupling

2017 ◽  
Vol 2017 ◽  
pp. 1-10 ◽  
Author(s):  
Q. L. Zhao ◽  
Y. Z. Zhang
Keyword(s):  
Early Period ◽  
Chloride Ion ◽  
Convection Velocity ◽  
Ion Concentration ◽  
Transfer Model ◽  
Ion Transfer ◽  
Coupling Region ◽  
Diffusion Coupling ◽  
Convection Diffusion ◽  
The Moment

The transfer process of chloride ion under the action of the convection-diffusion coupling was analyzed in order to predict the corrosion of reinforcement and the durability of structure more accurately. Considering the time-varying properties of diffusion coefficient and the space-time effect of the convection velocity, the differential equation for chloride ion transfer under the action of the convection-diffusion coupling was constructed. And then the chloride ion transfer model was validated by the existing experimental datum and the actual project datum. The results showed that when only diffusion was considered, the chlorine ion concentration increased with the time and decreased with the decay index of time. Under the action of the convection-diffusion coupling, at each point of coupling region, the chloride ion concentration first increased and then decreased and tended to stabilize, and the maximum appeared at the moment of convection velocity being 0; in the diffusion zone, the chloride ion concentration increased over time, and the chloride ion concentration of the same location increased with the depth of convection (in the later period), the velocity of convection (in the early period), and the chloride ion concentration of the surface.

Electrostress Diffusion Coupling Model for Polyelectrolyte Gels

2005 ◽  
Vol 38 (4) ◽  
pp. 1349-1356 ◽  
Author(s):  
Tatsuya Yamaue ◽  
Hiroto Mukai ◽  
Kinji Asaka ◽  
Masao Doi
Keyword(s):  
Coupling Model ◽  
Diffusion Coupling ◽  
Polyelectrolyte Gels

Influence of ion-pair formation, and pH gradient, on diffusion -coupling processes

1988 ◽  
Vol 70 (1-2) ◽  
pp. 82
Author(s):  
J.P. Simonin ◽  
J.F. Gaillard ◽  
P. Turq ◽  
E. Soualhia
Keyword(s):  
Ion Pair ◽  
Pair Formation ◽  
Ph Gradient ◽  
Diffusion Coupling ◽  
Ion Pair Formation ◽  
Coupling Processes

Diffusion coupling in electrolyte solutions. 2. Pseudo-oscillations induced by a pH gradient

1993 ◽  
Vol 97 (19) ◽  
pp. 5019-5023 ◽  
Author(s):  
Jean Pierre Simonin ◽  
Pierre Turq ◽  
Antonio Calado
Keyword(s):  
Electrolyte Solutions ◽  
Ph Gradient ◽  
Diffusion Coupling
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