"Teorie a molekul\u00E1rn\u00ED simulace elektrick\u00E9 dvojvrstvy na rozhran\u00ED pevn\u00FDch l\u00E1tek a pol\u00E1rn\u00EDch roztok\u016F" . "6"^^ . "Za nejv\u011Bt\u0161\u00ED omezen\u00ED sou\u010Dasn\u00FDch teori\u00ED rozhran\u00ED pevn\u00FDch l\u00E1tek a vodn\u00FDch roztok\u016F a elektrick\u00E9 dvojvrstvy se ukazuje zanedb\u00E1v\u00E1n\u00ED molekul\u00E1rn\u00ED struktury vody a uva\u017Eov\u00E1n\u00ED pouze rozm\u011Br\u016F iont\u016F. P\u0159itom pr\u00E1v\u011B atom\u00E1rn\u00ED struktura vody je rozhoduj\u00EDc\u00ED pro strukturuelektrick\u00E9 dvojvrstvy a jej\u00ED elektrostatick\u00E9 vlastnosti. C\u00EDlem navrhovan\u00E9ho projektu je pomoc\u00ED po\u010D\u00EDta\u010Dov\u00FDch molekul\u00E1rn\u011B dynamick\u00FDch simulac\u00ED z\u00EDskat komplexn\u00ED vlastnosti elektrick\u00E9 dvojvrstvy praktick\u00FDch syst\u00E9m\u016F, pou\u017E\u00EDt nejnov\u011Bj\u0161\u00ED metody pro m\u011B\u0159en\u00EDobt\u00ED\u017En\u011B dostupn\u00FDch veli\u010Din jako je dielektrick\u00E1 konstanta a viskozita, zobecnit je pro nehomogenn\u00ED prost\u0159ed\u00ED a navrhnout nov\u00E9 metody ur\u010Dov\u00E1n\u00ED t\u011Bchto veli\u010Din. Z\u00EDskan\u00E9 v\u00FDsledky budou pou\u017Eity k interpretaci experiment\u00E1ln\u00EDch elektrokinetick\u00FDch dat. Dal\u0161\u00EDmc\u00EDlem je studovat vliv polarizovatelnosti povrchu i roztoku na vlastnosti elektrick\u00E9 dvojvrstvy a testovat pou\u017Eitelnost st\u00E1vaj\u00EDc\u00EDch teori\u00ED elektrick\u00E9 dvojvrstvy a \u0159e\u0161it jejich zobecn\u011Bn\u00ED, zejm\u00E9na s ohledem na zahrnut\u00ED p\u0159\u00EDsp\u011Bvk\u016F rozpou\u0161t\u011Bdla. Aplikace" . . "http://www.isvav.cz/projectDetail.do?rowId=GP203/03/P083"^^ . . . "1"^^ . . . . "The biggest limitation of the current theories of solid/aqueous interface and electric double layer seems to be the neglect of molecular structure of water and consideration of the ion sizes only. However, it is the molecular structure of water, which isresponsible for the structure of electric double layer and its electrostatic properties. The goal of the proposed project is to obtain from molecular dynamics simulations complex properties of the electric double layer of selected systems, employ themostrecent methods for determination of dielectric constant and viscosity, generalize these methods for inhomogeneous systems and explore new methods for determination of these quantities. The simulation results will be applied for interpretation ofexperime ntal electrokinetic data. The role of polarizability of surface and solution on properties of electric double layer will be studied. Current theories of electric double layer will be tested and their generalization by inclusion of the solvent"@en . "0"^^ . "Theory and molecular simulation of electric double-layer at solid-liquid interface"@en . . . "0"^^ . "Neuvedeno."@en . . . . . . . "Byly z\u00EDsk\u00E1ny strukturn\u00ED a dynamick\u00E9 vlastnosti elektrick\u00E9 dvojvrstvy na rozhran\u00ED rutil - vodn\u00FD roztok. Konkr\u00E9tn\u011B se jednalo o: 1) Vytvo\u0159en\u00ED modelu hydroxylovan\u00E9ho a nehydroxylovan\u00E9ho rutilov\u00E9ho povrchu a to jak neutr\u00E1ln\u00EDho, tak negativn\u011B a pozitivn\u011B nabi"@cs . . "GP203/03/P083" . . . . . "2008-05-19+02:00"^^ . . "The structural and dynamical properties of electric double-layer at rutile-aqueous solution interface were obtained. In details: 1) Creation of a model of hydroxylated and nonhydroxylated rutile surface, i.e. neutral, negatively a positively charged surf"@en . "6"^^ .