{"product_id":"computer-simulations-of-partially-confined-water-von-subramanian-vaitheeswaran","title":"Computer Simulations of Partially Confined Water","description":"\u003cp\u003eLiquids in narrowly confined spaces have properties  that are very different from those of the bulk. In  this thesis three different systems have been studied  using computer simulations.  The first is a molecular dynamics study of liquid  water between parallel plates subjected to  an external electric field. The second study is a  Monte Carlo simulation of water inside a carbon  nanotube. We study the electric field dependence of  the equilibrium between the empty and filled states  of the nanotube. We also investigate the electric  field dependence of the equilibrium between the two  states of the filled tube that correspond to two  orientations of the total dipole moment of the water  chain along the tube axis. By studying the  temperature dependence of the free energy of  occupancy, we evaluate the energy and entropy of the  water inside the tube relative to bulk water.  Finally, these Monte Carlo methods are applied to  water in hydrophobic protein cavities. The filling of  nonpolar cavities with water is found to be  thermodynamically favorable under conditions which  are critically dependent on the cavity size and the  interactions with the cavity walls.\u003c\/p\u003e\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783843388511\"\u003e\u003ch3\u003ein thin films, carbon nanotubes and protein cavities\u003c\/h3\u003e\u003c\/div\u003e","brand":"Autorenwelt Shop","offers":[{"title":"Softcover - 9783843388511","offer_id":39470036549725,"sku":"9783843388511","price":49.0,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/c0b8b114-3e34-4872-a5cc-d35f7eac2f93.jpg?v=1773297747","url":"https:\/\/shop.autorenwelt.de\/en\/products\/computer-simulations-of-partially-confined-water-von-subramanian-vaitheeswaran","provider":"Autorenwelt Shop","version":"1.0","type":"link"}