Molecular Dynamics Simulations of CO2 and Brine Interfacial Tension at High Temperatures and Pressures

Molecular dynamics simulations have been performed to study the interfacial tension of CO2 and brine for a range of temperatures between 303 and 393 K and pressures from 2 to 50 MPa. The ions involved in this study are Na+, Ca2+, and Cl–. The results indicate that the interfacial tension decreases w...

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Veröffentlicht in:	The journal of physical chemistry. B 2013-05, Vol.117 (18), p.5647-5652
Hauptverfasser:	Li, Xuesong, Ross, Daniel A, Trusler, J. P. Martin, Maitland, Geoffrey C, Boek, Edo S
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon Dioxide - chemistry Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Fluid surfaces and fluid-fluid interfaces Molecular Dynamics Simulation Physics Pressure Salts - chemistry Surface energy (surface tension, interface tension, angle of contact, etc.) Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Temperature
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