Effect of the shape of simulation box on the Van der Waals loop of a Lennard-Jones fluid

Takahashi, Hideaki; Nakamura, A.; Nitta, Tomoshige

doi:10.1016/s0009-2614(97)01251-7

Cited by 3 publications

(2 citation statements)

References 6 publications

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“…This method has previously been employed to obtain the equation of state for granular gases 20 23 26 27 28 . However, recent work for systems in thermal equilibrium questions whether the non-monotonic pressure-volume curves obtained represent the equation of state for the system, or merely reflect finite size effects 29 30 . In the following paragraphs we will demonstrate that P ( v ) does indeed serve as the equation of state for our granular system.…”

Section: Resultsmentioning

confidence: 99%

The minimization of mechanical work in vibrated granular matter

Clewett

Wade

Bowley

et al. 2016

Sci Rep

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Experiments and computer simulations are carried out to investigate phase separation in a granular gas under vibration. The densities of the dilute and the dense phase are found to follow a lever rule and obey an equation of state. Here we show that the Maxwell equal-areas construction predicts the coexisting pressure and binodal densities remarkably well, even though the system is far from thermal equilibrium. This construction can be linked to the minimization of mechanical work associated with density fluctuations without invoking any concept related to equilibrium-like free energies.

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Section: Resultsmentioning

confidence: 99%

The minimization of mechanical work in vibrated granular matter

Clewett

Wade

Bowley

et al. 2016

Sci Rep

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“…In our simulations, periodic boundary conditions are used in the horizontal directions. This method is a common practice for granular gases [21,24,[32][33][34], however, recent work questions whether the non-monotonic pressure-volume curves obtained represent the equation of state for the system, or merely reflect finite size effects [35,36]. Crucially we find that, for sufficiently small cells, the calculated pressure is not a function of the system size.…”

mentioning

confidence: 64%

A Maxwell Construction for Phase Separation in Vibrated Granular Matter?

Clewett¹,

Wade²,

Bowley³

et al. 2015

Preprint

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Experiments and computer simulations are carried out to investigate ordering principles in a granular gas which phase separates under vibration. The densities of the dilute and the dense phase are found to follow a lever rule. A Maxwell construction is found to predict both the coexisting pressure and binodal densities remarkably well, despite the fact that the pressure-volume characteristic P (v) is not an isotherm. Although the system is far from equilibrium and energy conservation is strongly violated, we derive the construction from the minimization of mechanical work and fluctuating particle currents.

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A new grand canonical ensemble method to calculate first-order phase transitions

Tang

2011

The Journal of Chemical Physics

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A theory about first-order phase transition of pure fluids is proposed. The theory is developed by combining grand canonical ensemble with density functional for homogeneous fluids. It is based on the fact that the grand partition function of one macroscopic volume is the product of the grand partition functions of its subvolumes. Density fluctuations of molecules determine the relation between the grand partition function and the free energy density. By combining pairs of subvolumes successively, the free energy density is transformed and rapidly becomes stationary. The stationary curve versus molecule density is convex and its linear segments represent phase transitions. The transform leads to the new grand canonical method to calculate phase equilibrium, which is more robust than classic ones. The transform suggests that classical van der Waals loop is physical and essential to phase transition.

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Effect of the shape of simulation box on the Van der Waals loop of a Lennard-Jones fluid

Cited by 3 publications

References 6 publications

The minimization of mechanical work in vibrated granular matter

The minimization of mechanical work in vibrated granular matter

A Maxwell Construction for Phase Separation in Vibrated Granular Matter?

A new grand canonical ensemble method to calculate first-order phase transitions

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