Equation of State of Dense Fluids. VIII. Comparison of the Internal Pressure from the PY Theory and the Lennard‐Jones (6–12) Potential with Experiment

1970 ◽  
Vol 53 (8) ◽  
pp. 3114-3117 ◽  
Author(s):  
Felix Theeuwes ◽  
Richard J. Bearman
Keyword(s):  
Equation Of State ◽  
Internal Pressure ◽  
Dense Fluids ◽  
Lennard Jones

scholarly journals Determination of Molecular Diameter by PVT

2012 ◽  
Vol 2012 ◽  
pp. 1-5 ◽  
Author(s):  
Vahid Moeini ◽  
Mehri Deilam
Keyword(s):  
Experimental Data ◽  
Potential Energy ◽  
Internal Pressure ◽  
Potential Function ◽  
Supercritical Fluids ◽  
Accurate Calculation ◽  
Dense Fluids ◽  
Lennard Jones ◽  
The Relationship

We derive an equation for calculation of molecular diameter of dense fluids, with using simultaneous Lennard-Jones (12-6) potential function and the internal pressure results. Considering the internal pressure by modeling the average configurational potential energy and then taking its derivative with respect to volume to a minimum point of potential energy has been shown that molecular diameter is function of the resultant of the forces of attraction and the forces of repulsion between the molecules in a fluid. The regularity is tested with experimental data for 10 fluids including Ar, N2, CO, CO2, CH4, C2H6, C3H8, C4H10, C6H6, and C6H5CH3. These problems have led us to try to establish a function for the accurate calculation of the molecular diameter based on the internal pressure theory for different fluids. The relationship appears to hold both compressed liquids and dense supercritical fluids.

Equation of state of a Lennard-Jones 12-6 pairwise additive fluid

1980 ◽  
Vol 45 (4) ◽  
pp. 977-983 ◽  
Author(s):  
Jan Sýs ◽  
Anatol Malijevský
Keyword(s):  
Equation Of State ◽  
Empirical Equation ◽  
The State ◽  
Critical Properties ◽  
Lennard Jones ◽  
State Behaviour ◽  
Compressibility Factors

An empirical equation of state was proposed, which is based on pseudoexperimental data on the state behaviour. The equation can be used at reduced temperatures from the range 0.7-100.0 and reduced densities up to 2. Calculated compressibility factors and critical properties agree well with available literature data.

Analytical equation of state for Lennard–Jones mixtures

1998 ◽  
Vol 146 (1-2) ◽  
pp. 73-92 ◽  
Author(s):  
Yiping Tang ◽  
Benjamin C.-Y. Lu
Keyword(s):  
Equation Of State ◽  
Analytical Equation ◽  
Lennard Jones

scholarly journals Изменение термодинамических свойств при изохорическом и изобарическом уменьшении размера нанокристалла кремния

2019 ◽  
Vol 61 (4) ◽  
pp. 757
Author(s):  
М.Н. Магомедов
Keyword(s):  
Equation Of State ◽  
Surface Properties ◽  
Surface Pressure ◽  
Interatomic Potential ◽  
Intersection Point ◽  
Relative Volume ◽  
Optimal Shape ◽  
Method Of Calculation ◽  
Lennard Jones ◽  
Crystal Properties

AbstractEquation of state P (ν/ν_o) and the baric dependences of the lattice and surface properties of silicon macro- and nanocrystals have been calculated using the method of calculation of crystal properties from the pair Mie–Lennard-Jones interatomic potential and the RP-model of nanocrystal. The isothermal dependences of P (ν/ν_o) for the macro- and the nanocrystal are shown to be intersected at a certain value of relative volume (ν/ν_o)_0. The surface pressure becomes zero at the intersection point (at (ν/ν_o)_0). The value of (ν/ν_o)_0 decreases upon isomorphic–isomeric increase in temperature and also at isomorphic–isothermic decrease in the number of atoms N in the nanocrystal, or at isomeric–isothermic deviation of the nanocrystal shape from the most energetically optimal shape (in the RP-model, this shape is a cube). The obtained equation of state is used to study the changes of the silicon properties at isochoric (ν/ν_o = 1) and also isobaric ( P = 0) decrease in N at temperatures 300 and 1000 K.

Sign in / Sign up

Export Citation Format

Share Document