Literature DB >> 27790987

Evidence from mixed hydrate nucleation for a funnel model of crystallization.

Kyle Wm Hall1, Sheelagh Carpendale2, Peter G Kusalik3.   

Abstract

The molecular-level details of crystallization remain unclear for many systems. Previous work has speculated on the phenomenological similarities between molecular crystallization and protein folding. Here we demonstrate that molecular crystallization can involve funnel-shaped potential energy landscapes through a detailed analysis of mixed gas hydrate nucleation, a prototypical multicomponent crystallization process. Through this, we contribute both: (i) a powerful conceptual framework for exploring and rationalizing molecular crystallization, and (ii) an explanation of phenomenological similarities between protein folding and crystallization. Such funnel-shaped potential energy landscapes may be typical of broad classes of molecular ordering processes, and can provide a new perspective for both studying and understanding these processes.

Keywords:  crystallization funnel; gas clathrate hydrates; molecular dynamics simulation; nucleation; potential energy landscapes

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Year:  2016        PMID: 27790987      PMCID: PMC5087014          DOI: 10.1073/pnas.1610437113

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  32 in total

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Journal:  J Phys Chem B       Date:  2014-11-10       Impact factor: 2.991

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Journal:  Phys Chem Chem Phys       Date:  2016-01-11       Impact factor: 3.676

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Authors:  Sapna Sarupria; Pablo G Debenedetti
Journal:  J Phys Chem Lett       Date:  2012-09-27       Impact factor: 6.475

9.  Nucleation pathways of clathrate hydrates: effect of guest size and solubility.

Authors:  Liam C Jacobson; Waldemar Hujo; Valeria Molinero
Journal:  J Phys Chem B       Date:  2010-11-04       Impact factor: 2.991

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  7 in total

1.  Characterizing key features in the formation of ice and gas hydrate systems.

Authors:  Shuai Liang; Kyle Wm Hall; Aatto Laaksonen; Zhengcai Zhang; Peter G Kusalik
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2.  Inhibition of Tetrahydrofuran Hydrate Formation in the Presence of Polyol-Modified Glass Surfaces.

Authors:  Jeffrey R Hall; Paul W Baures
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3.  Unraveling nucleation pathway in methane clathrate formation.

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4.  Double Life of Methanol: Experimental Studies and Nonequilibrium Molecular-Dynamics Simulation of Methanol Effects on Methane-Hydrate Nucleation.

Authors:  Marco Lauricella; Mohammad Reza Ghaani; Prithwish K Nandi; Simone Meloni; Bjorn Kvamme; Niall J English
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2022-03-24       Impact factor: 4.126

5.  Unbiased atomistic insight in the competing nucleation mechanisms of methane hydrates.

Authors:  Thom A Berendsen; Peter G Bolhuis
Journal:  Proc Natl Acad Sci U S A       Date:  2019-09-09       Impact factor: 11.205

6.  A multi-channel in situ light scattering instrument utilized for monitoring protein aggregation and liquid dense cluster formation.

Authors:  Sven Falke; Hévila Brognaro; Arayik Martirosyan; Karsten Dierks; Christian Betzel
Journal:  Heliyon       Date:  2019-12-13

7.  Rate Prediction for Homogeneous Nucleation of Methane Hydrate at Moderate Supersaturation Using Transition Interface Sampling.

Authors:  A Arjun; P G Bolhuis
Journal:  J Phys Chem B       Date:  2020-09-08       Impact factor: 2.991

  7 in total

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