About: Chemistry at atmospheric surfaces: Molecular level investigation usány laboratory experiments and computer simulations

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Projekt, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	http://linked.opendata.cz/ontology/domain/vavai/Projekt
rdfs:seeAlso	http://www.isvav.cz/projectDetail.do?rowId=ME09064
Description	The aim of this project is to obtain systematic molecular level knowledge on fundamental physical and chemical processes occurring at surfaces exposed to the atmosphere such as the surfaces of liquid or solid aerosol particles or water lets in clouds. These surfaces get into contact with a large variety of biogenic and anthropogenic species in the atmosphere and serve as reactors providing very specific reaction conditions at interfaces between two or more phases. In addition, structure and chemical composition of the surfaces, which determine their physico-chemical properties, change in time due to their atmospheric processing. Study of these complex systems requires a multidisciplinary approach involving a combination of various experimental techniques, theoretical calculations and computer simulations. The IOCB research team in Prague, whose expertise is in molecular simulations, will in close collaboration with the experimentalists at University of California Irvine perform computer modeling stu (en) Cílem projektu je porozumět na molekulární úrovni struktuře a dynamice rozhraní voda–vzduch (povrchová vrstva kapaliny, tenké vodní filmy na pevných površích) za přítomnosti řady atmosféricky významných molekul a iontů.
Title	Chemistry at atmospheric surfaces: Molecular level investigation usány laboratory experiments and computer simulations (en) Chemie na atmosférických površích: Výzkum na molekulární úrovni pomocí laboratorních experimentů a počítačových simulací
skos:notation	ME09064
http://linked.open...avai/cep/aktivita	KONTAKT
http://linked.open...kovaStatniPodpora	http://linked.opendata.cz/resource/domain/vavai/projekt/ME09064/celkovaStatniPodpora
http://linked.open...ep/celkoveNaklady	http://linked.opendata.cz/resource/domain/vavai/projekt/ME09064/celkoveNaklady
http://linked.open...datumDodatniDoRIV	2013-06-28 (xsd:date)
http://linked.open...i/cep/druhSouteze	VS - Veřejná soutěž ve výzkumu a vývoji
http://linked.open...ep/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open.../cep/fazeProjektu	92822622
http://linked.open...ai/cep/hlavniObor	CF - Fyzikální chemie a teoretická chemie
http://linked.open...hodnoceniProjektu	V - Vynikající výsledky (s mezinárodním významem apod.). Zároveň byly splněny cíle a předpokládané výsledky uvedené ve smlouvě / rozhodnutí o poskytnutí podpory.
http://linked.open...vai/cep/kategorie	ZV - Základní výzkum
http://linked.open.../cep/klicovaSlova	atmospheric aerosols; heterogeneous chemistry; self-assembled monolayers; molecular dynamics; air-water interface; hydration (en)
http://linked.open...ep/partnetrHlavni	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...inujicichPrijemcu	0 (xsd:int)
http://linked.open...cep/pocetPrijemcu	1 (xsd:int)
http://linked.open...ocetSpoluPrijemcu	0 (xsd:int)
http://linked.open.../pocetVysledkuRIV	13 (xsd:int)
http://linked.open...enychVysledkuVRIV	13 (xsd:int)
http://linked.open...lneniVMinulemRoce	2012-02-23 (xsd:date)
http://linked.open.../prideleniPodpory	http://linked.opendata.cz/resource/domain/vavai/cep/prideleniPodpory/2060%2F2011-320
http://linked.open...iciPoslednihoRoku	2012
http://linked.open...atUdajeProjZameru	2013
http://linked.open.../vavai/cep/soutez	SMSM2009ME4
http://linked.open...usZobrazovaneFaze	DUU
http://linked.open...ai/cep/typPojektu	P - Projekt výzkumu a vývoje financovaný ze státního rozpočtu
http://linked.open...ep/ukonceniReseni	2012-12-31 (xsd:date)
http://linked.open...ep/zahajeniReseni	2009-04-01 (xsd:date)
http://linked.open...jektu+dodavatelem	Using molecular dynamics we described behavior of atmospherically relevant molecules and ions at the air/aqueous interface. Results of the project have direct consequences for chemistry of tropospheric aerosols and will improve quality of atmospheric models. (en) Pomocí molekulové dynamiky jsme popsali chování atmosféricky významných molekul a iontů na rozhraní mezi vzduchem a vodným prostředím. Závěry projektu mají přímé důsledky pro chemii aerosolů v troposféře a poslouží ke zkvalitnění atmosférických modelů. (cs)
http://linked.open...tniCyklusProjektu	ZBBKU
http://linked.open.../cep/klicoveSlovo	atmospheric aerosols molecular dynamics air-water interface heterogeneous chemistry self-assembled monolayers
is http://linked.open...vavai/riv/projekt of	Partial hydration of n-alkyl halides at the water-vapor interface: a molecular simulation study with atmospheric implications Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions Surface organization of aqueous MgCl2 and application to atmospheric marine aerosol chemistry Water adsorption on hydrophilic and hydrophobic self-assembled monolayers as proxies for atmospheric surfaces. A grand canonical Monte Carlo simulation study Effect of Magnesium Cation on the Interfacial Properties of Aqueous Salt Solutions Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined Experimental - Computational Approach Interactions of gaseous HNO3 and water with individual and mixed alkyl self-assembled monolayers at room temperature Comparative Molecular Dynamics Study of Vapor-Exposed Basel, Prismatic, and Pyramidal Surfaces of Ice Surface Hydrophilicity-Dependent Water Adsorption on Mixed Self-Assembled Monolayers of C7-CH3 and C7-COOH Residues. A Grand Canonical Monte Carlo Simulation Study Properties of oxidized phospholipid monolayers: An atomistic molecular dynamics study Comparison of selected polarizable and nonpolarizable water models in molecular dynamics simulations of ice I-h Methyl and Pentyl Chloride in a Microhydrated Environment and at the Liquid Water-Vapor Interface: A Theoretical Study
is http://linked.open...vavai/cep/projekt of	http://linked.opendata.cz/resource/domain/vavai/cep/ucast/ME09064/2009/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/ME09064/2010/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/ME09064/2011/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/ME09064/2012/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/ME09064/2013/ico%3A61388963

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