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Analysis of institutional authors

Robustillo Fuentes, Maria DoloresAuthor

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May 9, 2022
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Molecular Dynamic Simulations of Clathrate Hydrate Structures I: Lattice Constant and Thermal Expansion

Publicated to: JOURNAL OF LOW TEMPERATURE PHYSICS. 207 (5-6): 227-240 - 2022-06-01 207(5-6), DOI: 10.1007/s10909-022-02725-9

Authors:

Heidaryan, E; Pessoa, PD; Fuentes, MDR
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Affiliations

Univ Politecn Madrid, Dept Ind Chem Engn & Environm, Madrid, Spain - Author
Univ Sao Paulo, Dept Chem Engn, Sao Paulo, SP, Brazil - Author
Universidad Politécnica de Madrid - Author
Universidade de Sao Paulo - Author
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Abstract

Molecular dynamic (MD) simulations of hydrates of methane (CH4) and carbon dioxide (CO2) were carried out. The force fields TIP4P/2005, OPLS-UA, and TraPPE, were used. The lattice constant and thermal expansion coefficient were obtained as a function of temperature. Considering the results of the current simulations and experimental literature data, a simple, meaningful polynomial (a function of temperature) was used to fit the obtained lattice constants from 0 to 283.15 K. The derivative structural property of the isobaric thermal expansion coefficient was calculated from fluctuation through MD simulations. While failing to capture the true behavior at low temperatures (i.e., less than 100 K), the MD simulation results of lattice constants and isobaric thermal expansion coefficients are consistent at higher temperatures, which is the most important situation for practical applications of hydrates as energy source or gas storage medium.
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Keywords

carbon dioxideco2 hydratedissociationequilibriumgashydratemethanemethane hydratemodelmolecular dynamics simulationneutron-diffractionraman-spectroscopywaterCarbon dioxideCarbon-dioxideHydrateLattice constantMethaneMolecular dynamics simulation

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal JOURNAL OF LOW TEMPERATURE PHYSICS due to its progression and the good impact it has achieved in recent years, according to the agency Scopus (SJR), it has become a reference in its field. In the year of publication of the work, 2022, it was in position , thus managing to position itself as a Q2 (Segundo Cuartil), in the category Materials Science (Miscellaneous). Notably, the journal is positioned en el Cuartil Q3 for the agency WoS (JCR) in the category Physics, Condensed Matter.

From a relative perspective, and based on the normalized impact indicator calculated from World Citations provided by WoS (ESI, Clarivate), it yields a value for the citation normalization relative to the expected citation rate of: 1.29. This indicates that, compared to works in the same discipline and in the same year of publication, it ranks as a work cited above average. (source consulted: ESI Nov 13, 2025)

This information is reinforced by other indicators of the same type, which, although dynamic over time and dependent on the set of average global citations at the time of their calculation, consistently position the work at some point among the top 50% most cited in its field:

  • Weighted Average of Normalized Impact by the Scopus agency: 1.51 (source consulted: FECYT Mar 2025)

Specifically, and according to different indexing agencies, this work has accumulated citations as of 2026-04-05, the following number of citations:

  • WoS: 15
  • Scopus: 16
  • Google Scholar: 8
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Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2026-04-05:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 8 (PlumX).
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Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: Brazil.

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: Last Author (ROBUSTILLO FUENTES, MARIA DOLORES).

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