Duan, Qin. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2008. / Includes bibliographical references (p. 45-51). / Abstracts in English and Chinese. / Abstract --- p.i / Acknowledgement --- p.ii / Chapter 1 --- Introduction --- p.1 / Chapter 2 --- Preliminaries --- p.9 / Chapter 3 --- Problem and main theorem --- p.15 / Chapter 3.1 --- Formulation of the problem --- p.15 / Chapter 3.2 --- Definition of weak solution and main theorem --- p.17 / Chapter 4 --- Existence and uniqueness of weak solution --- p.19 / Chapter 4.1 --- Some a priori estimates --- p.19 / Chapter 4.2 --- Uniqueness of weak solution --- p.35 / Chapter 5 --- Asymptotic behavior --- p.38 / Chapter 5.1 --- Large time behavior of total kinetic energy --- p.38 / Chapter 5.2 --- "Large time behavior of density p(x, t)" --- p.40 / Bibliography --- p.45

Duan, Qin. / Thesis (Ph.D.)--Chinese University of Hong Kong, 2011. / Includes bibliographical references (leaves 141-150). / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Abstract also in Chinese.

La theorie c1assique de la fonctionnelle de la densite est appliquee a l'etude de la solvatation de molecules dans des solvants polaires. Une forme approximative de la fonctionnelle est obtenue en calculant par simulation la fonction de correlation directe du solvant pur. Cette fonctionnelle est ensuite minirnisee en presence d'un solute pour obtenir son energie libre de solvatation et la denslte d'equi'ibre du solvant. La fonctionnelle est d'abord timitee a un developpernent dipolaire et exprimee en fonction de la densite de nombre et de la polarisation. Elle est appliquee a la solvatation dans Ie liquide de Stockmayer, avec de tres bons resuitats, et dans un modele dipolaire d'eau, avec des resultats raisonnables hors des especes charqees. Enfin une representation de la fonctionnelle sur une grille de position et d'orientation est introduite. Elle conduit a une description precise de la solvatation de differents solutes rnoleculaires dans I'acetonitrile. / Classical density functional theory is applied to the study of the solvation of molecules in polar solvents. For a given solvent, an approximate form of the functional is obtained by computing by numerical simulations the direct correlation function of the pure solvent. This functional can then be jninirnized in the presence of a solute to yield its solvation free energy and the equilibrium solvent density. The functional is first limited to a dipolar expansion and expressed in terms of the number and polarisation density. The approach is applied to solvation in the Stockmayer liquid, with good results, and in a dipolar water model, with reasonable results except for charged species. At last a complete representation of the functional on a position and angular grid is introduced which leads to a precise description of the solvation of different molecular solutes in acetonitrile.

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[Typescript] Includes bibliography.

v, 125 leaves ; 26 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Thesis (Ph.D.1976) from the Dept. of Pure Mathematics, University of Adelaide

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Thesis (Ph. D.)--Massachusetts Institute of Technology and Woods Hole Oceanographic Institution, 1983. / Includes bibliographical notes.

Thesis (Ph. D.)--Oregon State University, 1970. / Typescript (photocopy). Includes bibliographical references (leaf 80). Also available on the World Wide Web.

Thesis (Ph. D.)--Oregon State University, 1970. / Typescript (photocopy). Includes bibliographical references (leaves 81-82). Also available on the World Wide Web.