DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Jhon, Mu-Shik | - |
dc.contributor.advisor | 전무식 | - |
dc.contributor.author | Lee, Jae-Weon | - |
dc.contributor.author | 이재원 | - |
dc.date.accessioned | 2011-12-13T04:26:09Z | - |
dc.date.available | 2011-12-13T04:26:09Z | - |
dc.date.issued | 1994 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=68921&flag=dissertation | - |
dc.identifier.uri | http://hdl.handle.net/10203/31379 | - |
dc.description | 학위논문(박사) - 한국과학기술원 : 화학과, 1994.2, [ viii, 67 p. ] | - |
dc.description.abstract | We have extended a recent perturbation theory [J. Chem. Phys. 82, 414 (1985); 84, 4547 (1986)] for nonionic systems to the one-component plasma (OCP). Characteristic features of the theory are its ability to both fluids and solids and the use of a reference potential whose repulsive range shrinks with density. Based on the computed thermodynamic data, we have developed a simple alternative (optimized hard-sphere) model, whose Helmholtz free energy is a sum of the Helmholtz free energy of the hard-sphere reference system and the Madelung energy of a fcc lattice. Comparison with available Monte Carlo and other theoretical results shows that the optimized hard-sphere model gives reliable solid (fcc) and fluid properties. The theory predicts that the fcc solid will melt at the Coulomb coupling parameter $\Gamma{m}$ =208 versus Helfer et al.``s [J. Stat. Phys. 37, 577 (1984)] Monte Carlo value of 196. This difference is due to a small difference (0.1\%) in the computed excess free energy. The computed internal energy can be accurately fitted by an analytic form. Its two leading terms (for the fluid) are $-0.899488\Gamma + 1.27297\Gamma^{1/4}$, in close agreement with Slattery et al.``s [Phys. Rev. A 21, 2087 (1980); 26, 2255 (1982)] empirical fit to their Monte Carlo data. We conclude that the hard-sphere perturbation theory is applicable to a long-range repulsive system, such as the OCP, so long as the hard-sphere diameter is judiciously chosen by using a density-dependent reference potential. The equilibrium properties of charged hard spheres in a uniform neutralizing background depend on two independent parameters : the Coulomb coupling constant of the one-component plasma and the packing fraction of the hard spheres. The thermodynamic quantities such as excess Helmholtz free energy, excess internal energy, and compressibility factor are calculated from the hard-sphere perturbation theory and the optimized hard-sphere model of charged hard spheres for fluids. The... | eng |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.title | Structure and thermodynamic properties of simple coulomb systems | - |
dc.title.alternative | 간단한 쿨롱계의 구조와 열역학적 성질 | - |
dc.type | Thesis(Ph.D) | - |
dc.identifier.CNRN | 68921/325007 | - |
dc.description.department | 한국과학기술원 : 화학과, | - |
dc.identifier.uid | 000775111 | - |
dc.contributor.localauthor | Jhon, Mu-Shik | - |
dc.contributor.localauthor | 전무식 | - |
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