Fluid critical points from simulations: The Bruce-Wilding method and Yang-Yang anomalies

Article Abstract:

The Bruce-Wilding (BW) mixed-field scaling method is critically examined for estimating the critical points of nonsymmetric model fluids from grand canonical simulation data. It is reported that the BW approach does not allow for pressure mixing in the scaling fields, which is essential for representing a Yang-Yang anomaly and is expected in realistic models, thus the modifications of the BW analysis that allow for pressure mixing is highlighted.

Analysis, Behavior, Simulation methods, Simulation

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Covergence of fine-lattice discretization for near-critical fluids

Article Abstract:

An investigation is conducted on the way in which the lattice discretization parameter affects the values of interesting parameters such as critical temperature and density. It is found that the lattice discretization technique can elevate the speed of simulations for fluids by factors of 10-100 relative to the corresponding continuum models.

Lattice dynamics, Continuum mechanics

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The I-D hard rod fluid revisited using NNPDFs

Article Abstract:

Discussing the NNPDFs providing a hierarchy of nearest neighbor functions as a means to thoroughly describe structure in the I-D hard rod fluid system. The above developments therefore validate the authenticity and usefulness of the statistical thermodynamic formalism presented in ref 1 at least for the case of the I-D hard rod fluid.

Thermal properties, Thermodynamics, Mechanical properties

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