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- W2962861441 abstract "A systematic investigation on vapor-liquid equilibria (VLEs) of dipolar and quadrupolar fluids is carried out by molecular simulation to develop a new Helmholtz energy contribution for equations of state (EOSs). Twelve two-center Lennard-Jones plus point dipole and point quadrupole model fluids (2CLJDQ) are studied for different reduced dipolar moments micro*2=6 or 12, reduced quadrupolar moments Q*2=2 or 4 and reduced elongations L*=0, 0.505, or 1. Temperatures cover a wide range from about 55% to 95% of the critical temperature of each fluid. The NpT+test particle method is used for the calculation of vapor pressure, saturated densities, and saturated enthalpies. Critical data and the acentric factor are obtained from fits to the simulation data. On the basis of this data, an EOS contribution for the dipole-quadrupole cross-interactions of nonspherical molecules is developed. The expression is based on a third-order perturbation theory, and the model constants are adjusted to the present 2CLJDQ simulation results. When applied to mixtures, the model is found to be in excellent agreement with results from simulation and experiment. The new EOS contribution is also compatible with segment-based EOS, such as the various forms of the statistical associating fluid theory EOS." @default.
- W2962861441 created "2019-07-30" @default.
- W2962861441 creator A5004283404 @default.
- W2962861441 creator A5082093150 @default.
- W2962861441 date "2007-12-12" @default.
- W2962861441 modified "2023-10-18" @default.
- W2962861441 title "Vapor−Liquid Equilibria Simulation and an Equation of State Contribution for Dipole−Quadrupole Interactions" @default.
- W2962861441 cites W1261644857 @default.
- W2962861441 cites W1549468690 @default.
- W2962861441 cites W1607288913 @default.
- W2962861441 cites W1964899949 @default.
- W2962861441 cites W1964931802 @default.
- W2962861441 cites W1967617977 @default.
- W2962861441 cites W1978949563 @default.
- W2962861441 cites W1980129209 @default.
- W2962861441 cites W1982957616 @default.
- W2962861441 cites W1986940276 @default.
- W2962861441 cites W1990091871 @default.
- W2962861441 cites W1992274040 @default.
- W2962861441 cites W1992518374 @default.
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- W2962861441 doi "https://doi.org/10.1021/jp072619u" @default.
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