نتایج جستجو برای: lennard jones energy parameter

تعداد نتایج: 873677  

Journal: :Physics of Fluids 2021

The influence of temperature on interfacial fluid slip, as measured by molecular-dynamics simulations a Couette flow comprising Lennard-Jones and rigid crystalline walls, is examined function the fluid-solid interaction strength. Two different types thermal behavior are observed, namely, slippery sticky cases. first characterized steep unlimited increase slip length at low temperatures, while s...

Journal: :Physica A: Statistical Mechanics and its Applications 1999

Journal: :Pramana 2022

The behaviour of energy polydisperse 2d Lennard–Jones fluid (in thin-film geometry) is studied subjected to linear flow field using molecular dynamics simulations. By considering neutral and selective substrates, we systematically explore the effect on particle ordering as well response system. It shown that density profile, spatial organisation local identity in film are affected. Furthermore,...

Journal: :iranian journal of chemistry and chemical engineering (ijcce) 1998
mohsen mohsen nia hamid modarres gholam ali mansoori

a mixing rule for the mixtures of hard-spheres is presented which can be reduced to the standard van der waals mixing rule at low densities. the effectiveness of the mixing rule for the size and energy parameters of lennard-jones fluid are examined by combining them with an equation of state to calculate thermodynamic properties. the results of calculation are compared with the molecular dynami...

Journal: :physical chemistry research 2014
gholam hossein bordbar m. a. rastkhadiv

we have used a variational approach to calculate some thermodynamic properties of the quasi-one dimensional liquid 3he such as the energy, entropy, free energy, equation of state and heat capacity at finite temperature. we have employed the lennard-jones potential as the inter-atomic interaction. we have seen that the total energy increases by increasing both temperature and density. as expecte...

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