Temperature dependence of de Gennes narrowing and transport properties of liquid rubidium: Experimental and simulation results

2007 ◽  
Vol 76 (9) ◽  
Author(s):  
D. Bertolini ◽  
F. Demmel ◽  
A. Tani
Keyword(s):  
Temperature Dependence ◽  
Transport Properties ◽  
Simulation Results ◽  
De Gennes Narrowing

scholarly journals A Molecular Simulation Study of Silica/Polysulfone Mixed Matrix Membrane for Mixed Gas Separation

Polymers ◽  
2021 ◽  
Vol 13 (13) ◽  
pp. 2199
Author(s):  
Khadija Asif ◽  
Serene Sow Mun Lock ◽  
Syed Ali Ammar Taqvi ◽  
Norwahyu Jusoh ◽  
Chung Loong Yiin ◽  
...  
Keyword(s):  
Transport Properties ◽  
Molecular Simulation ◽  
Gas Separation ◽  
Membrane Separation ◽  
Gas Transport ◽  
Mixed Matrix ◽  
Mixed Gas ◽  
Gas Transport Properties ◽  
Simulation Results ◽  
Mixed Gases

Polysulfone-based mixed matrix membranes (MMMs) incorporated with silica nanoparticles are a new generation material under ongoing research and development for gas separation. However, the attributes of a better-performing MMM cannot be precisely studied under experimental conditions. Thus, it requires an atomistic scale study to elucidate the separation performance of silica/polysulfone MMMs. As most of the research work and empirical models for gas transport properties have been limited to pure gas, a computational framework for molecular simulation is required to study the mixed gas transport properties in silica/polysulfone MMMs to reflect real membrane separation. In this work, Monte Carlo (MC) and molecular dynamics (MD) simulations were employed to study the solubility and diffusivity of CO2/CH4 with varying gas concentrations (i.e., 30% CO2/CH4, 50% CO2/CH4, and 70% CO2/CH4) and silica content (i.e., 15–30 wt.%). The accuracy of the simulated structures was validated with published literature, followed by the study of the gas transport properties at 308.15 K and 1 atm. Simulation results concluded an increase in the free volume with an increasing weight percentage of silica. It was also found that pure gas consistently exhibited higher gas transport properties when compared to mixed gas conditions. The results also showed a competitive gas transport performance for mixed gases, which is more apparent when CO2 increases. In this context, an increment in the permeation was observed for mixed gas with increasing gas concentrations (i.e., 70% CO2/CH4 > 50% CO2/CH4 > 30% CO2/CH4). The diffusivity, solubility, and permeability of the mixed gases were consistently increasing until 25 wt.%, followed by a decrease for 30 wt.% of silica. An empirical model based on a parallel resistance approach was developed by incorporating mathematical formulations for solubility and permeability. The model results were compared with simulation results to quantify the effect of mixed gas transport, which showed an 18% and 15% percentage error for the permeability and solubility, respectively, in comparison to the simulation data. This study provides a basis for future understanding of MMMs using molecular simulations and modeling techniques for mixed gas conditions that demonstrate real membrane separation.

Electrochemical Modeling of Commercial LiFePO4and Graphite Electrodes: Kinetic and Transport Properties and Their Temperature Dependence

2016 ◽  
Vol 163 (13) ◽  
pp. A2803-A2816 ◽  
Author(s):  
Mehrdad Mastali ◽  
Mohammad Farkhondeh ◽  
Siamak Farhad ◽  
Roydon A. Fraser ◽  
Michael Fowler
Keyword(s):  
Temperature Dependence ◽  
Transport Properties ◽  
Graphite Electrodes ◽  
Electrochemical Modeling

scholarly journals Spin-Orbit Coupling Effects on Transport Properties of Electronic Lieb Lattice in the Presence of Magnetic Field

2021 ◽  
Author(s):  
Elham Sadeghi ◽  
Hamed Rezania
Keyword(s):  
Magnetic Field ◽  
Thermal Conductivity ◽  
Seebeck Coefficient ◽  
Temperature Dependence ◽  
Transport Properties ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Lieb Lattice ◽  
Thermal Conductivities

Abstract In this paper, the transport properties of a two-dimensional Lieb lattice that is a line-centered square lattice are investigated in the presence of magnetic field and spin-orbit coupling. Specially, we address the temperature dependence of electrical and thermal conductivities as well as Seebeck coefficient due to spin-orbit interaction. We have exploited Green’s function approach in order to study thermoelectric and transport properties of Lieb lattice in the context of Kane-Mele model Hamiltonian. The results for Seebeck coefficient show the sign of thermopower is positive in the presence of spin-orbit coupling. Also the temperature dependence of transport properties indicates that the increase of spin-orbit coupling leads to decrease thermal conductivity however the decrease of gap 1 parameter causes the reduction of thermal conductivity. There is a peak in temperature dependence of thermal conductivity for all values of magnetic fields and spin-orbit coupling strengths. Both electrical and thermal conductivities increase with increasing the temperature at low amounts of temperature due to the increasing of transition rate of charge carriers and excitation of them to the conduction bands. Also we have studied the temperature dependence of spin susceptibility of Lieb monolayer due to both spin orbit coupling and magnetic field factors in details.

Temperature dependence of the magnetic and transport properties of Co15Cu85 magnetic granular alloys

1998 ◽  
Vol 83 (6) ◽  
pp. 3134-3138 ◽  
Author(s):  
R. H. Yu ◽  
J. Zhu ◽  
X. X. Zhang ◽  
J. Tejada
Keyword(s):  
Temperature Dependence ◽  
Transport Properties ◽  
Granular Alloys

Temperature dependence of electrical transport properties of La4BaCu5−xCoxO13+δconducting oxide thin films

2016 ◽  
Vol 55 (4S) ◽  
pp. 04EJ08
Author(s):  
Akihiro Tsuruta ◽  
Yusuke Tsujioka ◽  
Yutaka Yoshida ◽  
Ichiro Terasaki ◽  
Norimitsu Murayama ◽  
...  
Keyword(s):  
Thin Films ◽  
Temperature Dependence ◽  
Transport Properties ◽  
Electrical Transport ◽  
Oxide Thin Films ◽  
Electrical Transport Properties

Effect of polyacetylene molecular weight and dopant concentration on the temperature dependence of transport properties

1985 ◽  
Vol 18 (12) ◽  
pp. 2380-2389 ◽  
Author(s):  
James C. W. Chien ◽  
John M. Warakomski ◽  
Frank E. Karasz ◽  
Michael A. Schen
Keyword(s):  
Molecular Weight ◽  
Temperature Dependence ◽  
Transport Properties ◽  
Dopant Concentration
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