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JOURNAL OF CHEMICAL PHYSICS

ISSN:

0021-9606

eISSN:

1089-7690

Disciplines
(Field of Science):

  • Biomedical engineering (Engineering and Technology)
  • Materials engineering (Engineering and Technology)
  • Pharmacology and pharmacy (Medical and Health Sciences )
  • Forestry (Agricultural sciences)
  • Astronomy (Natural sciences)
  • Chemical sciences (Natural sciences)
  • Physical sciences (Natural sciences)

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2018 35 A
2017 35 A
2016 35 A
2015 35 A
2014 35 A
2013 35 A
2012 35 A
2011 35 A
2010 32 A

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Year 2022 7.1
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total: 85

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Catalog Journals

Year 2023
  • Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
    Publication
    • J. Grabowska
    • S. Blazquez
    • E. Sanz
    • E. G. Noya
    • I. M. Zerón
    • J. Algaba
    • J. M. Míguez
    • F. J. Blas
    • C. Vega

    - JOURNAL OF CHEMICAL PHYSICS - Year 2023

    In this work, we shall estimate via computer simulations the homogeneous nucleation rate for the methane hydrate at 400 bars for a supercooling of about 35 K. The TIP4P/ICE model and a Lennard-Jones center were used for water and methane, respectively. To estimate the nucleation rate, the seeding technique was employed. Clusters of the methane hydrate of different sizes were inserted into the aqueous phase of a two-phase gas–liquid...

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  • Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
    Publication

    In liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...

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  • Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
    Publication
    • J. Algaba
    • I. M. Zerón
    • J. M. Míguez
    • J. Grabowska
    • S. Blazquez
    • E. Sanz
    • C. Vega
    • F. J. Blas

    - JOURNAL OF CHEMICAL PHYSICS - Year 2023

    In this paper, the solubility of carbon dioxide (CO2) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and the TraPPE model for CO2. In particular, the solubility of CO2 in water when in contact with the CO2 liquid phase and the solubility of CO2 in water when in contact with the hydrate have been determined. The solubility of CO2 in a liquid–liquid...

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