The Experts below are selected from a list of 87 Experts worldwide ranked by ideXlab platform
Tianmin Guo - One of the best experts on this subject based on the ideXlab platform.
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application of the modified kumar Starling Equation of state to predict the phase behavior of mixtures in the near critical region
Fluid Phase Equilibria, 1992Co-Authors: Jizheng Chu, Youxiang Zuo, Tianmin GuoAbstract:Abstract Chu, J.-Z., Zuo, Y.-X. and Guo, T.-M., 1993. Application of the modified Kumar-Starling Equation of state to predict the phase behavior of mixtures in the near-critical region. Fluid Phase Equilibria, 81: 17-38. The modified Kumar-Starling (MKS) Equation of state (EOS) developed by the authors (Chu, J.-Z., Zuo, Y.-X. and Guo, T.-M., 1992. Fluid Phase Equilibria 77: 181-216) was applied to predict the phase behavior of mixtures containing defined/undefined components. Special attention was paid to examining the performance in the near-critical region. For mixtures containing denned components only, the comparison of the calculated results with well-known Equations of state, such as SRK (Soave G., 1972. Chem. Eng. Sci., 27: 1199-1203), PT (Patel, N.C. and Teja, A.S., 1982. Chem. Eng. Sci., 37: 467-477) and the volume-translated SRK (Chou, G.F. and Prausnitz, J.M., 1989. AICHE J., 35: 1487-1496) shows the superiority of the MKS EOS. When applied to undefined component-containing reservoir fluid mixtures, a characterization procedure for the heptane-plus fraction was proposed by the authors. As compared with the calculation results based on SRK-P EOS (Peneloux, A., Ranzy, E. and Freze, R., 1982. Fluid Phase Equilibria, 8: 7-23) and the characterization procedure proposed by Pedersen et al. (Pedersen K.S., Thomassen P. and Fredenslund Aa., 1988. Paper presented at the AICHE Spring National Meeting New Orleans LA, 6–10 March) significant improvements in the prediction of the phase behavior of near-critical oil/gas, and highly aromatic/nitrogen-enriched gas condensates were observed.
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modification of the kumar Starling five parameter cubic Equation of state and extension to mixtures
Fluid Phase Equilibria, 1992Co-Authors: Jizheng Chu, Youxiang Zuo, Tianmin GuoAbstract:Abstract Chu, J.-Z., Zuo, Y.-X. and Guo, T.-M., 1992. Modification of the Kumar-Starling five-parameter cubic Equation of state and extension to mixtures. Fluid Phase Equilibria 77: 181-216. For extending the five-parameter cubic Equation of state (KS EOS) proposed by Kumar and Starling (1982) (Ind. Eng. Chem. Fundam, 21:255-262) to polar substances, and improving the phase behavior description of heavy hydrocarbons, the generalized correlations of parameters A2 and A5 were modified, and new orientation parameters were determined. In the near critical region, transition functions for parameters A22, A5 and A5 were introduced, in which the experimental critical compressibility factor was incorporated. The parameters of the modified Kumar-Starling Equation of state (MKS EOS) were determined by fitting the vapor pressure and saturated liquid density data simultaneously. The proposed MKS EOS was tested on 127 pure non-polar and polar substances. Extensive comparisons with nine other well-known cubic EOS indicate that the modified version of the KS EOS significantly improved the representation of the phase behavior of pure substances in various regions. The MKS EOS was further extended to mixtures by rearranging its form into conventional van der Waals (VDW) form, and the simple VDW one-fluid mixing rules were applied to the new EOS parameters. The test results on 97 binary and multicomponent mixtures indicate that, as compared with other Equations of state, the MKS EOS predicts comparable bubble point pressures, but much more accurate saturated liquid densities.
Andrés Santos - One of the best experts on this subject based on the ideXlab platform.
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chemical potential route a hidden percus yevick Equation of state for hard spheres
Physical Review Letters, 2012Co-Authors: Andrés SantosAbstract:The chemical potential of a hard-sphere fluid can be expressed in terms of the contact value of the radial distribution function of a solute particle with a diameter varying from zero to that of the solvent particles. Exploiting the explicit knowledge of such a contact value within the Percus-Yevick theory, and using standard thermodynamic relations, a hitherto unknown Percus-Yevick Equation of state, p/ρk(B)T = -(9/η) ln(1-η)-(16-31η)/2(1-η)(2), is unveiled. This Equation of state turns out to be better than the one obtained from the conventional virial route. Interpolations between the chemical-potential and compressibility routes are shown to be more accurate than the widely used Carnahan-Starling Equation of state. The extension to polydisperse hard-sphere systems is also presented.
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A heuristic radial distribution function for hard disks
The Journal of Chemical Physics, 1993Co-Authors: S. Bravo Yuste, Andrés SantosAbstract:We propose a model radial distribution function for hard disks that is interpolated between the Percus–Yevick distribution functions for hard rods and hard spheres. The model contains a mixing parameter and two scaling parameters, which are determined by imposing self‐consistency with an extension to d=2 of the Carnahan–Starling Equation of state. Comparison with computer simulation is carried out.
G Zinovjev - One of the best experts on this subject based on the ideXlab platform.
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going beyond the second virial coefficient in the hadron resonance gas model
Nuclear Physics, 2018Co-Authors: K A Bugaev, V V Sagun, A I Ivanytskyi, Ivan P Yakimenko, E G Nikonov, A Taranenko, G ZinovjevAbstract:Abstract We develop a novel formulation of the hadron resonance gas model which, besides a hard-core repulsion, explicitly accounts for the surface tension induced by the interaction between the particles. Such an Equation of state allows us to go beyond the Van der Waals approximation for any number of different hard-core radii. A comparison with the Carnahan–Starling Equation of state shows that the new model is valid for packing fractions 0.2–0.22, while the usual Van der Waals model is inapplicable at packing fractions above 0.1–0.11. Moreover, it is shown that the Equation of state with induced surface tension is softer than the one of hard spheres and remains causal at higher particle densities. The great advantage of our model is that there are only two Equations to be solved and neither their number nor their form depend on the values of the hard-core radii used for different hadronic resonances. Such an advantage leads to a significant mathematical simplification compared to other versions of truly multi-component hadron resonance gas models. Using this Equation of state we obtain a high-quality fit of the ALICE hadron multiplicities measured at the center-of-mass energy 2.76 TeV per nucleon and we find that the dependence of χ 2 / n d f on the temperature has a single global minimum in the traditional hadron resonance gas model with the multi-component hard-core repulsion. Also we find two local minima of χ 2 / n d f in the model in which the proper volume of each hadron is proportional to its mass. However, it is shown that in the latter model a second local minimum located at higher temperatures always appears far above the limit of its applicability.
Jizheng Chu - One of the best experts on this subject based on the ideXlab platform.
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application of the modified kumar Starling Equation of state to predict the phase behavior of mixtures in the near critical region
Fluid Phase Equilibria, 1992Co-Authors: Jizheng Chu, Youxiang Zuo, Tianmin GuoAbstract:Abstract Chu, J.-Z., Zuo, Y.-X. and Guo, T.-M., 1993. Application of the modified Kumar-Starling Equation of state to predict the phase behavior of mixtures in the near-critical region. Fluid Phase Equilibria, 81: 17-38. The modified Kumar-Starling (MKS) Equation of state (EOS) developed by the authors (Chu, J.-Z., Zuo, Y.-X. and Guo, T.-M., 1992. Fluid Phase Equilibria 77: 181-216) was applied to predict the phase behavior of mixtures containing defined/undefined components. Special attention was paid to examining the performance in the near-critical region. For mixtures containing denned components only, the comparison of the calculated results with well-known Equations of state, such as SRK (Soave G., 1972. Chem. Eng. Sci., 27: 1199-1203), PT (Patel, N.C. and Teja, A.S., 1982. Chem. Eng. Sci., 37: 467-477) and the volume-translated SRK (Chou, G.F. and Prausnitz, J.M., 1989. AICHE J., 35: 1487-1496) shows the superiority of the MKS EOS. When applied to undefined component-containing reservoir fluid mixtures, a characterization procedure for the heptane-plus fraction was proposed by the authors. As compared with the calculation results based on SRK-P EOS (Peneloux, A., Ranzy, E. and Freze, R., 1982. Fluid Phase Equilibria, 8: 7-23) and the characterization procedure proposed by Pedersen et al. (Pedersen K.S., Thomassen P. and Fredenslund Aa., 1988. Paper presented at the AICHE Spring National Meeting New Orleans LA, 6–10 March) significant improvements in the prediction of the phase behavior of near-critical oil/gas, and highly aromatic/nitrogen-enriched gas condensates were observed.
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modification of the kumar Starling five parameter cubic Equation of state and extension to mixtures
Fluid Phase Equilibria, 1992Co-Authors: Jizheng Chu, Youxiang Zuo, Tianmin GuoAbstract:Abstract Chu, J.-Z., Zuo, Y.-X. and Guo, T.-M., 1992. Modification of the Kumar-Starling five-parameter cubic Equation of state and extension to mixtures. Fluid Phase Equilibria 77: 181-216. For extending the five-parameter cubic Equation of state (KS EOS) proposed by Kumar and Starling (1982) (Ind. Eng. Chem. Fundam, 21:255-262) to polar substances, and improving the phase behavior description of heavy hydrocarbons, the generalized correlations of parameters A2 and A5 were modified, and new orientation parameters were determined. In the near critical region, transition functions for parameters A22, A5 and A5 were introduced, in which the experimental critical compressibility factor was incorporated. The parameters of the modified Kumar-Starling Equation of state (MKS EOS) were determined by fitting the vapor pressure and saturated liquid density data simultaneously. The proposed MKS EOS was tested on 127 pure non-polar and polar substances. Extensive comparisons with nine other well-known cubic EOS indicate that the modified version of the KS EOS significantly improved the representation of the phase behavior of pure substances in various regions. The MKS EOS was further extended to mixtures by rearranging its form into conventional van der Waals (VDW) form, and the simple VDW one-fluid mixing rules were applied to the new EOS parameters. The test results on 97 binary and multicomponent mixtures indicate that, as compared with other Equations of state, the MKS EOS predicts comparable bubble point pressures, but much more accurate saturated liquid densities.
Roland Roth - One of the best experts on this subject based on the ideXlab platform.
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A new generalization of the Carnahan-Starling Equation of state to additive mixtures of hard spheres.
The Journal of chemical physics, 2006Co-Authors: Hendrik Hansen-goos, Roland RothAbstract:We introduce an expansion of the Equation of state for additive hard-sphere mixtures in powers of the total packing fraction with coefficients which depend on a set of weighted densities used in scaled particle theory and fundamental measure theory. We demand that the mixture Equation of state recovers the quasiexact Carnahan-Starling [J. Chem. Phys. 51, 635 (1969)] result in the case of a one-component fluid and show from thermodynamic considerations and consistency with an exact scaled particle relation that the first and second orders of the expansion lead unambiguously to the Boublik-Mansoori-Carnahan-Starling-Leland [J. Chem. Phys. 53, 471 (1970); J. Chem. Phys. 54, 1523 (1971)] Equation and the extended Carnahan-Starling Equation introduced by Santos et al. [Mol. Phys. 96, 1 (1999)]. In the third order of the expansion, our approach allows us to define a new Equation of state for hard-sphere mixtures which we find to be more accurate than the former Equations when compared to available computer simulation data for binary and ternary mixtures. Using the new mixture Equation of state, we calculate expressions for the surface tension and excess adsorption of the one-component fluid at a planar hard wall and compare its predictions to available simulation data.