Calculation of effective pair potential via the volumetric data

Namdari, F ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1080/01411594.2013.804184
  3. Abstract:
  4. The concept of effective pair potential (EPP), in which medium effects and contribution of long-range interactions are added to near-neighbor pair interactions, is a useful tool to derive and calculate the thermodynamic quantities. It has been shown that the extended Lennard-Jones (12, 6, 3) potential is an accurate EPP for many systems. However, the parameters of this EPP are not known for any systems. We introduce a new approach to use experimental pvT data of a fluid to calculate its EPP parameters. Such calculation has been carried out for some fluids at some temperatures. Unlike the isolated pair potential, it has been shown that the parameters significantly vary with temperature. We have found that the potential well of the EPP for a fluid is larger than that of its isolated pair potential at all temperatures
  5. Keywords:
  6. Effective pair potential ; Extended Lennard-Jones (12, 6,3) ; Equations of state ; Temperature ; Volumetric analysis ; Effective pair potentials ; Equation of state ; Experimental pVT datum ; Lennard Jones ; Long range interactions ; Pair interactions ; Potential parameters ; Thermodynamic quantities ; Lennard-Jones potential
  7. Source: Phase Transitions ; Vol. 87, issue. 1 , 2014 , pp. 38-58 ; ISSN: 01411594
  8. URL: http://www.tandfonline.com/doi/abs/10.1080/01411594.2013.804184#.VdAWz7WD4_4