Thermodynamic equilibria in systems with nanoparticles

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F17%3A43914660" target="_blank" >RIV/60461373:22310/17:43914660 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Thermodynamic equilibria in systems with nanoparticles

Popis výsledku v původním jazyce

Thermodynamic description of systems with nanoparticles in the frame of the Gibbs theory of interfaces is presented. Although much attention has been paid to thermodynamic modelling of nanosystems, the calculation of phase diagrams of nanoalloys as well as the assessment of effects of surface-related phenomena on the solubility of nanoparticles and gas?solid reactions, some discrepancy still remains dealing with the expression of the surface contribution to molar Gibbs energy and chemical potential of components. It is shown that due to the non-extensive nature of the surface area, these contributions are different for molar and partial molar quantities. The consistent expressions for molar Gibbs energy and chemical potentials of components of spherical nanoparticles are put forward along with the correct forms of equilibrium conditions. Moreover, the applicability of the shape factor a = Anon-spherical/Aspherical (Vnon-spherical = Vspherical) which is used in the expressions involving surface-to-volume ratio of nonspherical particles is addressed. A new parameter, the differential shape factor a? = dAnon-spherical/dAspherical (Vnon-spherical = Vspherical, dVnon-spherical = dVspherical), is proposed which should be used in equilibrium conditions based on the equality of chemical potentials. The enhanced solubility of paracetamol nanoparticles in water and thermal decomposition of GaN nanowires are demonstrated as examples of size effect in nanosystems.

Název v anglickém jazyce

Thermodynamic equilibria in systems with nanoparticles

Popis výsledku anglicky

Thermodynamic description of systems with nanoparticles in the frame of the Gibbs theory of interfaces is presented. Although much attention has been paid to thermodynamic modelling of nanosystems, the calculation of phase diagrams of nanoalloys as well as the assessment of effects of surface-related phenomena on the solubility of nanoparticles and gas?solid reactions, some discrepancy still remains dealing with the expression of the surface contribution to molar Gibbs energy and chemical potential of components. It is shown that due to the non-extensive nature of the surface area, these contributions are different for molar and partial molar quantities. The consistent expressions for molar Gibbs energy and chemical potentials of components of spherical nanoparticles are put forward along with the correct forms of equilibrium conditions. Moreover, the applicability of the shape factor a = Anon-spherical/Aspherical (Vnon-spherical = Vspherical) which is used in the expressions involving surface-to-volume ratio of nonspherical particles is addressed. A new parameter, the differential shape factor a? = dAnon-spherical/dAspherical (Vnon-spherical = Vspherical, dVnon-spherical = dVspherical), is proposed which should be used in equilibrium conditions based on the equality of chemical potentials. The enhanced solubility of paracetamol nanoparticles in water and thermal decomposition of GaN nanowires are demonstrated as examples of size effect in nanosystems.

Druh

C - Kapitola v odborné knize

CEP obor

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OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA13-20507S" target="_blank" >GA13-20507S: Tenké vrstvy magneticky dopovaného GaN</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název knihy nebo sborníku

Thermal Physics and Thermal Analysis: From Micro to Macro

ISBN

978-3-319-45899-1

Počet stran výsledku

18

Strana od-do

385-402

Počet stran knihy

567

Název nakladatele

Springer International Publishing Switzerland

Místo vydání

Cham

Kód UT WoS kapitoly

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