ArticleThe Journal of chemical physics2014
Properties of the Lennard-Jones dimeric fluid in two dimensions: an integral equation study.
Article in The Journal of chemical physics, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Structure and thermodynamics of a 2D Lennard-Jones hexagonal fluid.Molecular simulation · 2022Article
- Two dimensional fluid with one site-site associating point. Monte Carlo, integral equation and thermodynamic perturbation theory study.Journal of molecular liquids · 2018Article
- Properties of the two-dimensional heterogeneous Lennard-Jones dimers: An integral equation study.The Journal of chemical physics · 2016Article
- Properties of a soft-core model of methanol: an integral equation theory and computer simulation study.The Journal of chemical physics · 2014Article
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Authors and funding
2 authors.
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Abstract
The thermodynamic and structural properties of the planar soft-sites dumbbell fluid are examined by Monte Carlo simulations and integral equation theory. The dimers are built of two Lennard-Jones segments. Site-site integral equation theory in two dimensions is used to calculate the site-site radial distribution functions for a range of elongations and densities and the results are compared with Monte Carlo simulations. The critical parameters for selected types of dimers were also estimated. We analyze the influence of the bond length on critical point as well as tested correctness of site-site integral equation theory with different closures. The integral equations can be used to predict the phase diagram of dimers whose molecular parameters are known.
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