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Showing 1 to 6 of 6 for “"molecular liquid"”.
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Rism Methodology and Its Application to Orientational Correlations and to Excess Electrons in Liquids
… pair correlation factor, g(,2), of a molecular liquid in the interaction site picture. It is based on the so-called proper integral equation theory of molecular fluids and leads to a cluster series expansion for g(,2). A topological reduction which removes the bare Mayer f-bonds in …
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Property Analysis of Silylamine Type Reversible Ionic Liquids for Use as a Thermal Safety Switch in Batteries
… of switchable solvent known as reversible ionic liquids (RevILs) and their feasibility in being used in electrolytes as a thermally-controlled reversible safety switch. In their pure forms these switchable solvents experience a dramatic change in their properties upon introduction of an external …
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Understanding of Molecular Interactions and Reversibility in Silylamines
… switchable battery electrolyte. Reversible ionic liquids (RevILs) could be used in such an electrolyte that would cease operation in the event of rapid temperature elevation because they can switch between states of drastically different properties upon the application of an external stimulus, …
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Adsorption of Small Molecules in Advanced Material Systems
… lubrications. Since adsorption is sensitive to molecular details of adsorbate molecule and adsorbent materials, it is often difficult to describe theoretically. Molecular modeling capable of resolving physical processes at atomistic scales is an effective method for studying adsorption. In this …
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Higher Order Structure in the Energy Landscapes of Model Glass Formers
The study of supercooled liquids and glasses remains one of the most divisive and divided fields in modern physics. Despite a vast amount of effort and research time invested in this topic, the answers to many central questions remain disputed and incomplete. However, the link between the behaviour …
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PRE-NUCLEATION IN MOLECULAR LIQUIDS: A MOLECULAR DYNAMICS PERSPECTIVE
… cui il parziale ordinamento e l’aggregazione nei liquidi molecolari, vengono investigati mediante una combinazione di simulazioni computazionali ed esperimenti di cristallizzazione. Questa ricerca ha tre obiettivi principali: innanzitutto, studiare l’effetto del confinamento sul parziale …