Optimised Mie potentials for phase equilibria: application to alkynes
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DOI: 10.1080/00268976.2017.1297862
Abstract: ABSTRACT A transferable united-atom force field, based on Mie potentials, is presented for alkynes. The performance of the optimised Mie potential parameters is assessed for 1-alkynes and 2-alkynes using grand canonical histogram-reweighting Monte Carlo simulations.… read more here.
Keywords: optimised mie; phase equilibria; potentials phase; mie potentials ... See more keywords