Vapour-liquid coexistence of an active Lennard-Jones fluid.
نویسندگان
چکیده
We study a three-dimensional system of self-propelled Lennard-Jones particles using Brownian dynamics simulations. Using recent theoretical results for active matter, we calculate the pressure and report equations of state for the system. Additionally, we chart the vapour-liquid coexistence and show that the coexistence densities can be well described using simple power laws. Lastly, we demonstrate that our out-of-equilibrium system shows deviations from both the law of rectilinear diameters and the law of corresponding states.
منابع مشابه
Lennard-Jones Energy Parameter for Pure Fluids from Scaled Particle Theory
By considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (SPT) based on the work of cavity formation and the interaction energy between molecules. At the critical temperature, the interfacial tension between c...
متن کاملExact Calculation of the Effect of Three-body Axilrod-teller Interactions on Vapour-liquid Phase Coexistence
The Gibbs ensemble algorithm is implemented to determine the vapour-liquid phase coexistence of a pure fluid interacting via a two-body Lennard-Jones + three-body Axilrod-Teller potential. The contribution of both two-body and three-body interactions are calculated exactly. The results are compared with both experiment and two-body only simulation data. The position of the vapour branch of the ...
متن کاملThe Modified Lennard-Jones and Devonshire Equation of State
Lennard-Jones-Devonshire equation of state is an old but theoretical based EOS. The concept of the nearest neighboring molecules or coordination number is proposed to be a function of temperature and volume, whereas it is a constant in the original. The dilute gas and hard sphere limits of molecules are employed to determine this function. Improvement of this modification is demonstrated by pro...
متن کاملGrand Equilibrium: vapour-liquid equilibria by a new molecular simulation method
A new molecular simulation method for the calculation of vapour-liquid equilibria of mixtures is presented. In this method, the independent thermodynamic variables are temperature and liquid composition. In the first step, one isobaric isothermal simulation for the liquid phase is performed, in which the chemical potentials of all components and their derivatives with respect to the pressure, i...
متن کاملComprehensive study of the vapour-liquid equilibria of the pure two-centre Lennard-Jones plus pointdipole fluid
Results of a systematic investigation of the vapour-liquid equilibria of 38 individual two-centre Lennard-Jones plus axial pointdipole model fluids (2CLJD) are reported over a range of reduced dipolar momentum 0 ≤ μ ≤ 20 and of reduced elongation 0 ≤ L ≤ 1.0. Temperatures investigated are from about 55 % to about 95 % of the critical temperature of each fluid. The NpT+Test Particle Method is us...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- The Journal of chemical physics
دوره 145 12 شماره
صفحات -
تاریخ انتشار 2016