Size and Shape Dependence of Hydrophobic Hydration at the Level of Primitive Models.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F02%3A27020145" target="_blank" >RIV/67985858:_____/02:27020145 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Size and Shape Dependence of Hydrophobic Hydration at the Level of Primitive Models.

Original language description

The hydrophobic hydration of apolar solutes of different shape and size is studied at an elementary level using two types of extended primitive models of water and representing the solute by hard spheres, cylinders, and spherocylinders, respectively. Thestructure of the first hydration shell around cylindrical particles is determined and compared to that around spherical ones and at a hard structureless at wall. It is found that while the two studied models of water give the same hydration structure for small non-polar particles, larger solutes are hydrated in a different way. Whereas one model does not show significant size and shape dependence, the other predicts significant changes in the orientation and hydrogen bonding of water molecules in the vicinity of the hydrophobic surface. These results are in agreement with those found for spherical solutes and confirm sensitivity of hydration phenomena to details of models of water, particularly to the strength and geometry of hydrogen

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/IAA4072908" target="_blank" >IAA4072908: From simple models to a molecular theory of real associated fluids. theory and applications</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2002

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Volume of the periodical

4

Issue of the periodical within the volume

15

Country of publishing house

GB - UNITED KINGDOM

Number of pages

8

Pages from-to

3704-3711

UT code for WoS article

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EID of the result in the Scopus database

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