Author
Lu Jiufang
Bio: Lu Jiufang is an academic researcher from Tsinghua University. The author has contributed to research in topics: Monte Carlo method & Monte Carlo molecular modeling. The author has an hindex of 2, co-authored 4 publications receiving 25 citations.
Papers
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TL;DR: In this article, the performance of three perturbation-theory-based equations of state (EOSs) for the Lennard-Jones (L-J) fluid were compared with two modified 33-parameter BWR EOSs.
21 citations
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TL;DR: In this article, the mathematical model of calculation of thermophysical properties for nanofluids on the basis of statistical nanomechanics is presented, and the analytical results obtained by statistical mechanics are compared with the experimental data and show relatively good agreement.
120 citations
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TL;DR: In this paper, the effects of an admixture of an organic cosolvent on 1:1 oxide/aqueous electrolyte systems, detected by means of potentiometric titrations, electrokinetic methods and radiotracer adsorption, are summarized and discussed in terms of the possible influence of the solvent composition on the structure of the electric double layer in such systems.
45 citations
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TL;DR: In this article, the sensitivity of thermodynamics to the Barker-Henderson (BH) diameter for the Lennard-Jones (LJ) potential is discussed, which covers both its approximation in calculation and improvement in rationality.
Abstract: Sensitivity of thermodynamics to the Barker–Henderson (BH) diameter for the Lennard-Jones (LJ) potential is discussed, which covers both its approximation in calculation and improvement in rationality. With regarding to the approximation, pressure and internal energy for the LJ fluid, LJ chains and LJ chain mixtures are investigated. It is found that internal energy is much more sensitive to an approximation to the diameter than pressure for pure fluids, and both pressure and internal energy are very sensitive to the diameter for mixtures. It is also found that the approximating expression given by Cotterman et al. (1986) covers the widest range of temperatures. The rationality of the BH diameter itself at very high temperatures and densities is also analyzed. Through a functional expansion of Helmholtz free energy, we conclude that a density-dependent BH diameter is fundamentally more appropriate. The proposed diameter yields almost the same results as the original BH diameter at normal conditions and remedies its deficiencies at extreme ones. The density-dependent diameter provides a convenient way to study the LJ systems undergoing gas-solid phase transition or freezing.
42 citations
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TL;DR: In this article, the statistical associating fluid theory (SAFT) equation of state is employed for the correlation and prediction of vapor−liquid equilibrium (VLE) of binary mixtures of alcohols with water, carbon and carbon dioxide.
Abstract: The statistical associating fluid theory (SAFT) equation of state is employed for the correlation and prediction of vapor−liquid equilibrium (VLE) of binary mixtures of alcohols with water, carbon ...
34 citations
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TL;DR: A statistical associating fluid theory (SAFT) equation of state, incorporated with mean spherical approximation (MSA), has been established to calculate the activity coefficients of surfactants in aqueous solutions as discussed by the authors.
21 citations