Articles with "theoretical methods" as a keyword



Comparison of experimental and theoretical methods of obtaining the thermal properties of alumina/iron mono and hybrid nanofluids

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Published in 2019 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2019.111377

Abstract: Abstract The use of hybrid nanofluids is gaining wide application due to their reported improvement in heat transfer properties rising from the combined thermal properties of two or more nanoparticles. This study presents an experimental… read more here.

Keywords: theoretical methods; comparison experimental; experimental theoretical; thermal properties ... See more keywords

Perspective on theoretical methods and modeling relating to electro-catalysis processes.

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Published in 2020 at "Chemical communications"

DOI: 10.1039/d0cc02998j

Abstract: Electro-catalysis is expected to be a promising clean alternative for energy conversion, and the search for effective and stable electro-catalysts is fundamental. Theoretical calculations play an important role in the rational design and optimization of… read more here.

Keywords: modeling relating; theoretical methods; electro catalysis; catalysis ... See more keywords

Theoretical Methods for Assessing the Density of Protein Nanodroplets

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Published in 2025 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms26178631

Abstract: Many intrinsically disordered proteins (IDPs) are known to undergo liquid–liquid phase separation (LLPS), which is a physical process that drives the formation of biomolecular condensates and membraneless organelles in biological cells. Molecular dynamics (MD) simulations… read more here.

Keywords: protein nanodroplets; methods assessing; theoretical methods; density protein ... See more keywords