A perturbed Lennard-Jones chain equation of state for liquid metals
The perturbed Lennard-Jones chain (PLJC) equation of state is formulated based on first-order variational perturbation theory. The model uses two parameters for a monatomic system, segment size, D*s, and segment energy, D*e/k. In this work, we employed the PLJC equation to calculate the liquid densi...
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Published in | Journal of physics. Condensed matter Vol. 18; no. 20; pp. 4793 - 4800 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
Bristol
IOP Publishing
24.05.2006
Institute of Physics |
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Abstract | The perturbed Lennard-Jones chain (PLJC) equation of state is formulated based on first-order variational perturbation theory. The model uses two parameters for a monatomic system, segment size, D*s, and segment energy, D*e/k. In this work, we employed the PLJC equation to calculate the liquid density of 26 metals, including alkali and alkali earth metals, iron, cobalt, nickel, copper, silver, gold, zinc, cadmium, mercury, aluminium, gallium, indium, thallium, tin, lead, antimony, and bismuth, for which accurate experimental data exist in the literature. The calculations cover a broad range of temperatures ranging from the melting point to close to the critical point and pressures ranging from the vapour-pressure curve up to pressures as high as 2000 bar. The average absolute deviation in the liquid density predicted by the PLJC equation of state in the saturation line compared with experimental data is 1.26%. Also, using the normal melting temperature and liquid density at melting point (Tm, D*rm) as input data for the estimation of the equation of state parameters provides a good correlation of liquid density at saturated and compressed pressures. |
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AbstractList | The perturbed Lennard-Jones chain (PLJC) equation of state is formulated based on first-order variational perturbation theory. The model uses two parameters for a monatomic system, segment size, D*s, and segment energy, D*e/k. In this work, we employed the PLJC equation to calculate the liquid density of 26 metals, including alkali and alkali earth metals, iron, cobalt, nickel, copper, silver, gold, zinc, cadmium, mercury, aluminium, gallium, indium, thallium, tin, lead, antimony, and bismuth, for which accurate experimental data exist in the literature. The calculations cover a broad range of temperatures ranging from the melting point to close to the critical point and pressures ranging from the vapour-pressure curve up to pressures as high as 2000 bar. The average absolute deviation in the liquid density predicted by the PLJC equation of state in the saturation line compared with experimental data is 1.26%. Also, using the normal melting temperature and liquid density at melting point (Tm, D*rm) as input data for the estimation of the equation of state parameters provides a good correlation of liquid density at saturated and compressed pressures. |
Author | Marageh, M Ghanadi Mousazadeh, M H |
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Cites_doi | 10.1016/0009-2509(94)E0099-C 10.1080/00268979500101091 10.1007/BF00859691 10.1016/j.jnucmat.2004.08.011 10.1007/BF00500839 10.1063/1.1674820 10.1103/PhysRevA.46.2159 10.1080/002689799165954 10.1007/BF01104844 10.1023/B:IJOT.0000034244.59638.38 10.1063/1.467691 10.1016/S0378-3812(98)00457-9 10.1063/1.1701689 10.1080/002689799163091 10.1021/je00002a027 10.1615/978-1-56700-063-4.0 10.1351/pac198557101407 10.1103/PhysRevB.50.2880 10.1021/ie990208x |
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Keywords | Perturbation theory Gold Equations of state Variational methods Vapor pressure Temperature effects Critical points Liquid metals Lennard Jones model Melting points Density |
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Title | A perturbed Lennard-Jones chain equation of state for liquid metals |
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