Published January 1, 2020 | Version v1
Publication Open

A thermodynamic view on the microsolvation of ions by rare gas: application to Li<sup>+</sup> with argon

  • 1. Instituto de Física La Plata
  • 2. Hospital Ana Nery
  • 3. Universidade Federal da Bahia
  • 4. University of Coimbra

Description

Parallel tempering Monte Carlo calculations on the Li+Arn microsolvation clusters have shown that the two peaks appearing in the heat capacity curve as a function of temperature correspond to the melting of the second and first solvation shells.

⚠️ This is an automatic machine translation with an accuracy of 90-95%

Translated Description (Arabic)

أظهرت حسابات مونت كارلو للتلطيف المتوازي على مجموعات Li+Arn المجهرية أن القمتين اللتين تظهران في منحنى السعة الحرارية كدالة لدرجة الحرارة تتوافقان مع ذوبان قشور الذوبان الثانية والأولى.

Translated Description (French)

Les calculs Monte Carlo de trempe parallèle sur les amas de microsolvations Li+Arn ont montré que les deux pics apparaissant dans la courbe de capacité calorifique en fonction de la température correspondent à la fusion des deuxième et première coquilles de solvatation.

Translated Description (Spanish)

Los cálculos de templado paralelo de Monte Carlo en los grupos de microsolvatación de Li+Arn han demostrado que los dos picos que aparecen en la curva de capacidad calorífica en función de la temperatura corresponden a la fusión de la segunda y primera capas de solvatación.

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Additional details

Additional titles

Translated title (Arabic)
نظرة ديناميكية حرارية على التحلل الدقيق للأيونات بواسطة غاز نادر: التطبيق على Li<sup>+</sup> مع الأرجون
Translated title (French)
Vue thermodynamique de la microsolvation des ions par les gaz rares&nbsp;: application à Li<sup>+</sup> avec l'argon
Translated title (Spanish)
Una visión termodinámica sobre la microsolvatación de iones por gas raro: aplicación a Li<sup>+</sup> con argón

Identifiers

Other
https://openalex.org/W3017374751
DOI
10.1039/d0cp01283a

GreSIS Basics Section

Is Global South Knowledge
Yes
Country
Argentina

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