Computation and volumetric insight into (p,T) effect on aqueous guanidinium chloride
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F21%3A43922689" target="_blank" >RIV/60461373:22340/21:43922689 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/21:00541497
Result on the web
<a href="https://www.sciencedirect.com/science/article/abs/pii/S0021961421000653" target="_blank" >https://www.sciencedirect.com/science/article/abs/pii/S0021961421000653</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jct.2021.106450" target="_blank" >10.1016/j.jct.2021.106450</a>
Alternative languages
Result language
angličtina
Original language name
Computation and volumetric insight into (p,T) effect on aqueous guanidinium chloride
Original language description
The effect of increasing temperature and pressure is studied for aqueous guanidinium chloride (GdmCl) at infinite dilutions. Experimentally determined partial molar volumes are combined with classical molecular dynamics simulations of GdmCl and the detailed analysis of the hydration structure is presented. We find that Gdm+ ion behaves differently than Cl– ion in terms of overall hydration structure, where Gdm+ has an anisotropic hydration shell compared to an isotropically hydrated Cl– ion. The difference in the hydration structure between the ions is also visible in the corresponding Kirkwood-Buff integrals and in temperature and pressure effects on single ion standard molar volumes. The detailed analysis shows a unique behavior of Gdm+ hydration structure which at the same time displays both hydrophilic and hydrophobic response to increase in temperature and pressure. © 2021 Elsevier Ltd
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA20-24155S" target="_blank" >GA20-24155S: Insight in preferential interactions, bridging, and cononsolvency on PNIPAM by experimental and computational thermodynamics</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Thermodynamics
ISSN
0021-9614
e-ISSN
—
Volume of the periodical
158
Issue of the periodical within the volume
July 2021
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
106450
UT code for WoS article
000644964000006
EID of the result in the Scopus database
2-s2.0-85102866922