Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations.

@article{Dinpajooh2015AccurateAP,
  title={Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations.},
  author={Mohammadhasan Dinpajooh and Peng Bai and Douglas A. Allan and J. Ilja Siepmann},
  journal={The Journal of chemical physics},
  year={2015},
  volume={143 11},
  pages={114113}
}
Since the seminal paper by Panagiotopoulos [Mol. Phys. 61, 813 (1997)], the Gibbs ensemble Monte Carlo (GEMC) method has been the most popular particle-based simulation approach for the computation of vapor-liquid phase equilibria. However, the validity of GEMC simulations in the near-critical region has been questioned because rigorous finite-size scaling approaches cannot be applied to simulations with fluctuating volume. Valleau [Mol. Simul. 29, 627 (2003)] has argued that GEMC simulations… CONTINUE READING

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