Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations

Using both computational and experimental methods, the capacity of four different surfactant molecules to inhibit the agglomeration of sII hydrate particles was assessed. The computational simulations were carried out using both steered and non-steered molecular dynamics (MD), simulating the coalesc...

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Veröffentlicht in:	The journal of physical chemistry. B 2021-02, Vol.125 (5), p.1487-1502
Hauptverfasser:	Mohr, Stephan, Hoevelmann, Felix, Wylde, Jonathan, Schelero, Natascha, Sarria, Juan, Purkayastha, Nirupam, Ward, Zachary, Navarro Acero, Pablo, Michalis, Vasileios K
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Soft Matter, Fluid Interfaces, Colloids, Polymers, and Glassy Materials
Online-Zugang:	Volltext
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