A multiscale transport model for Lennard-Jones binary mixtures based on interfacial friction

2016 ◽  
Vol 145 (7) ◽  
pp. 074115 ◽  
Author(s):  
Ravi Bhadauria ◽  
N. R. Aluru
Keyword(s):  
Binary Mixtures ◽  
Transport Model ◽  
Interfacial Friction ◽  
Lennard Jones ◽  
Multiscale Transport

Study on the Atomic-Scale Mechanism of Static Friction

2008 ◽  
Author(s):  
Lingyun Ding ◽  
Zhongliang Gong ◽  
Ping Huang
Keyword(s):  
Static Friction ◽  
Atomic Scale ◽  
Interfacial Friction ◽  
Lennard Jones Potential ◽  
Coupled Oscillator ◽  
Jones Potential ◽  
New Model ◽  
Lennard Jones ◽  
Atomic Force ◽  
Coupled Oscillator Model

A new model named as the coupled-oscillator model, is proposed to study the atomic-scale static friction. The Maugis-Dugdal model is used to approximately substitute the Lennard-Jones potential of the interfacial friction in new model. Then, the formulas for static friction force and coefficient calculation are deduced. A comparison between the theoretical result and the experimental value obtained by an atomic force microscope is presented to show the model and the formulas practically feasible.

Phase and interfacial behavior of partially miscible symmetric Lennard-Jones binary mixtures

2005 ◽  
Vol 123 (18) ◽  
pp. 184507 ◽  
Author(s):  
Enrique Diaz-Herrera ◽  
Guillermo Ramirez-Santiago ◽  
Jose A. Moreno-Razo
Keyword(s):  
Binary Mixtures ◽  
Interfacial Behavior ◽  
Lennard Jones ◽  
Partially Miscible

scholarly journals Interpretation of the pressure-induced Raman frequency shift of the ν1 stretching bands of CH4 and N2 within CH4–CO2, N2–CO2 and CH4–N2 binary mixtures

2021 ◽  
Author(s):  
Van-Hoan Le ◽  
Alexandre Tarantola ◽  
Marie-Camille Caumon
Keyword(s):  
Frequency Shift ◽  
Binary Mixtures ◽  
Hard Sphere ◽  
Fluid Model ◽  
Raman Frequency ◽  
Hard Sphere Fluid ◽  
Lennard Jones ◽  
Force Variation ◽  
Raman Frequency Shift

The pressure-induced frequency shift of the CH4 and N2 bands is interpreted by quantitatively attributing to the attractive and repulsive solvation mean-force variation using the Lennard–Jones 6-12 potential and the perturbed hard-sphere fluid model.

The statistical thermodynamics of mixtures of Lennard-Jones molecules I. Random mixtures

1957 ◽  
Vol 250 (976) ◽  
pp. 175-220 ◽  
Keyword(s):  
Binary Mixtures ◽  
Taylor Series Expansion ◽  
Present Theory ◽  
Intermolecular Forces ◽  
Necessary Condition ◽  
Reference Substance ◽  
Gibbs Function ◽  
Characteristic Energy ◽  
Lennard Jones ◽  
Random Mixing

This paper describes a development in the statistical theory of mixtures of spherical molecules. It is shown that for a mixture of molecules interacting according to the Lennard-Jones inverse-power potential, the assumption of random mixing is sufficient to relate the thermodynamic properties of the mixture exactly to those of a reference substance, after the manner of the law of corresponding states; and it is proved in an appendix that only the Lennard-Jones form of the potential energy function leads to this simple result. If the molar configurational Gibbs function of the reference substance is G 0 (T,P) ,then that of the random mixture is G(T, P, x) = f x G 0 (T/f x , Ph/f x ) - RT In h x + RT zeta x x where x a is the mole fraction of component c and where f and h x are dimensionless functions of the composition involving the characteristic molecular energy and size constants for the interactions of the various species. This equation is used to discuss the phenomena peculiar to mixtures of substances, under the headings: mixing effects, phase equilibria, and critical phases. A necessary condition on the intermolecular forces for azeotropy to occur in binary mixtures is derived in a simple form which can be appreciated intuitively; the possibility of a lower critical solution point in these mixtures is examined and shown to be unlikely; and the difficulties in the way of deriving the critical or plait-point curve are outlined. The liquid mixing properties of the system carbon monoxide + methane are calculated from the theory, and shown to be in fair agreement with experiment. The Gibbs function of the mixture is analyzed by a Taylor-series expansion, and it is shown that the first-order terms of the present theory are identical with those of the theory of conformal solutions, due to Longuet-Higgins, but that the second-order terms involve approximations, resulting from the assumption of random mixing. Expanded forms of the mixing functions are derived for the special class of binary mixtures whose characteristic energy and size constants obey geometric and arithmetic mean rules respectively, and the signs of these functions are discussed.

The Effect of Cross Interactions on Mixing Properties: Non-Lorentz-Berthelot Lennard-Jones Mixtures

2008 ◽  
Vol 73 (4) ◽  
pp. 533-540 ◽  
Author(s):  
Michael Rouha ◽  
Filip Moučka ◽  
Ivo Nezbeda
Keyword(s):  
Binary Mixtures ◽  
Excess Volume ◽  
Excess Enthalpy ◽  
Excess Volumes ◽  
Excess Function ◽  
Mixing Properties ◽  
Lennard Jones ◽  
Behavior Types

Binary mixtures of two identical Lennard-Jones fluids with non-Lorentz-Berthelot combining rules have been simulated at ambient-like conditions in order to examine the effect of cross interactions on mixing properties - excess volumes and enthalpies. Various combinations of deviations of both energy and size cross parameters from the Lorentz-Berthelot rules have been considered. Whereas consequences of the deviations for excess volume are rather straightforward, a variety of behavior types is found for excess enthalpy, including an excess function with three extrema.

Molecular-dynamics studies of binary mixtures of Lennard-Jones fluids with differing component sizes

1984 ◽  
Vol 16 (3) ◽  
pp. 241-253 ◽  
Author(s):  
PaweŁ Gierycz ◽  
Hideki Tanaka ◽  
Koichiro Nakanishi
Keyword(s):  
Molecular Dynamics ◽  
Binary Mixtures ◽  
Lennard Jones
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