Structure and thermodynamics of empty clathrate hydrates below the freezing point of water
Author:
Affiliation:
1. LAQV-REQUIMTE
2. Department of Chemistry
3. Faculdade de Ciências e Tecnologia
4. NOVA University Lisbon
5. 2829-516 Caparica
Abstract
Ultra-cold empty clathrate hydrates are benchmarked against hexagonal ice and ice XVI and a universal equation of state for highly compressed solids is used for the empty lattices. Unit cell lengths, isobaric expansivities and tetrahedral order parameters are calculated.
Funder
Fundação para a Ciência e a Tecnologia
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00893E
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2. Delving into guest-free and He-filled sI and sII clathrate hydrates: a first-principles computational study;Physical Chemistry Chemical Physics;2022
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