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Title: Relation between pore size and the compressibility of a confined fluid

When a fluid is confined to a nanopore, its thermodynamic properties differ from the properties of a bulk fluid, so measuring such properties of the confined fluid can provide information about the pore sizes. Here, we report a simple relation between the pore size and isothermal compressibility of argon confined in such pores. Compressibility is calculated from the fluctuations of the number of particles in the grand canonical ensemble using two different simulation techniques: conventional grand-canonical Monte Carlo and grand-canonical ensemble transition-matrix Monte Carlo. Our results provide a theoretical framework for extracting the information on the pore sizes of fluid-saturated samples by measuring the compressibility from ultrasonic experiments.
Authors:
 [1] ; ; ;  [2] ;  [3] ;  [4]
  1. NRC Research Associate, Resident at Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375 (United States)
  2. Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)
  3. DuPont Central Research and Development Experimental Station, Wilmington, Delaware 19803 (United States)
  4. Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375 (United States)
Publication Date:
OSTI Identifier:
22493256
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 19; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; ARGON; COMPRESSIBILITY; COMPUTERIZED SIMULATION; FLUCTUATIONS; MONTE CARLO METHOD; NANOSTRUCTURES; PARTICLES; S MATRIX; THERMODYNAMIC PROPERTIES; ULTRASONIC TESTING