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Structure of fluid interfaces: an integral equation study

 

作者: Stanislav Iatsevitch,   Frank Forstmann,  

 

期刊: Molecular Physics  (Taylor Available online 2000)
卷期: Volume 98, issue 17  

页码: 1309-1322

 

ISSN:0026-8976

 

年代: 2000

 

DOI:10.1080/002689700413569

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

We develop a method for treating an interface between coexisting fluid phases to study its structure and thermodynamical properties. Our approach includes calculated correlation functions. Approximations are intrinsically optimized. The method is successfully applied to the liquid vapour surface of a Lennard-Jones fluid, to the liquid–liquid interface of a demixing system and to the surface of a Stockmayer liquid towards vapour. In all cases we compare our results to simulations. The agreement with simulation results demonstrates the reliability of our approximations and shows that the technique we applied provides a powerful and robust method for studying inhomogeneous fluids.

 

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