Equation of State of Dense Fluids. IX. Comparison of the Internal Pressure from the PY Theory and the Lennard‐Jones (7–28) Potential with Experimental Data on CF4

1972 ◽  
Vol 56 (11) ◽  
pp. 5732-5733
Author(s):  
Stephen C. Glover ◽  
Mirion Y. Bearman ◽  
Richard J. Bearman ◽  
Frederic Mandei
Keyword(s):  
Experimental Data ◽  
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.

Modeling the establishment of a saturated state of argon by molecular dynamics

2011 ◽  
Vol 8 (1) ◽  
pp. 172-181
Author(s):  
V.L. Malyshev ◽  
C.I. Mikhaylenko ◽  
E.F. Moiseeva
Keyword(s):  
Mathematical Modeling ◽  
Experimental Data ◽  
Molecular Dynamics ◽  
Equation Of State ◽  
Saturation State ◽  
Small Deviations ◽  
Lennard Jones ◽  
Wide Range ◽  
Molecular Dynamics Methods ◽  
Range Equation

Mathematical modeling of evaporation of liquid and condensation of gaseous argon is performed for small deviations from the saturation state. The simulation is performed using molecular dynamics methods, using the Lennard-Jones interaction potential. The thermodynamic parameters are calculated from the wide-range equation of state. The results of the calculations are compared with known experimental data.

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.

scholarly journals Revisiting Kelvin equation and Peng–Robinson equation of state for accurate modeling of hydrocarbon phase behavior in nano capillaries

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Ilyas Al-Kindi ◽  
Tayfun Babadagli
Keyword(s):  
Experimental Data ◽  
Surface Tension ◽  
Equation Of State ◽  
Phase Behavior ◽  
Pore Radius ◽  
Microfluidic Chips ◽  
Tight Sandstone ◽  
Kelvin Equation ◽  
Rock Samples ◽  
Robinson Equation

AbstractThe thermodynamics of fluids in confined (capillary) media is different from the bulk conditions due to the effects of the surface tension, wettability, and pore radius as described by the classical Kelvin equation. This study provides experimental data showing the deviation of propane vapour pressures in capillary media from the bulk conditions. Comparisons were also made with the vapour pressures calculated by the Peng–Robinson equation-of-state (PR-EOS). While the propane vapour pressures measured using synthetic capillary medium models (Hele–Shaw cells and microfluidic chips) were comparable with those measured at bulk conditions, the measured vapour pressures in the rock samples (sandstone, limestone, tight sandstone, and shale) were 15% (on average) less than those modelled by PR-EOS.

scholarly journals Measurement of the sound velocity of shock compressed water

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Hua Shu ◽  
Jiangtao Li ◽  
Yucheng Tu ◽  
Junjian Ye ◽  
Junyue Wang ◽  
...  
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Equation Of State ◽  
Liquid Water ◽  
Diamond Anvil Cell ◽  
Quantum Molecular Dynamics ◽  
Laser Shock ◽  
Diamond Anvil ◽  
Ionization Processes ◽  
Sound Velocities

AbstractThe sound velocities of water in the Hugoniot states are investigated by laser shock compression of precompressed water in a diamond anvil cell. The obtained sound velocities in the off-Hugoniot region of liquid water at precompressed conditions are used to test the predictions of quantum molecular dynamics (QMD) simulations and the SESAME equation-of-state (EOS) library. It is found that the prediction of QMD simulations agrees with the experimental data while the prediction of SESAME EOS library underestimates the sound velocities probably due to its improper accounting for the ionization processes.

Solid-Fluid Phase Equilibria Measurement for Mixtures of Methane, Carbon-Dioxide and N-Hexadecane

2021 ◽  
Author(s):  
Oluwakemi Victoria Eniolorunda ◽  
Antonin Chapoy ◽  
Rod Burgass
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Equation Of State ◽  
Phase Equilibria ◽  
Activity Coefficients ◽  
Fluid Phase ◽  
Ternary Mixtures ◽  
Binary Interaction ◽  
Thermodynamic Models ◽  
Methane Carbon

Abstract In this study, new experimental data using a reliable approach are reported for solid-fluid phase equilibrium of ternary mixtures of Methane-Carbon-dioxide- n-Hexadecane for 30-73 mol% CO2 and pressures up to 24 MPa. The effect of varying CO2 composition on the overall phase transition of the systems were investigated. Three thermodynamic models were used to predict the liquid phase fugacity, this includes the Peng Robison equation of state (PR-EoS), Soave Redlich-Kwong equation of state (SRK-EoS) and the Cubic plus Association (CPA) equation of state with the classical mixing rule and a group contribution approach for calculating binary interaction parameters in all cases. To describe the wax (solid) phase, three activity coefficient models based on the solid solution theory were investigated: the predictive universal quasichemical activity coefficients (UNIQUAC), Universal quasi-chemical Functional Group activity coefficients (UNIFAC) and the predictive Wilson approach. The solid-fluid equilibria experimental data gathered in this experimental work including those from saturated and under-saturated conditions were used to check the reliability of the various phase equilibria thermodynamic models.

Numerical Simulation of a Jumper Conveying Slurry for Deep-Sea Mining

2021 ◽  
Author(s):  
Marcio Yamamoto ◽  
Tomo Fujiwara ◽  
Joji Yamamoto ◽  
Sotaro Masanobu
Keyword(s):  
Experimental Data ◽  
Pressure Drop ◽  
Dynamic Analysis ◽  
Internal Pressure ◽  
Deep Sea ◽  
Petroleum Industry ◽  
Vertical Direction ◽  
Internal Flow ◽  
Horizontal Direction ◽  
Viscous Pressure

Abstract One key technology for Deep-Sea Mining is the riser system. The riser is already a field-proven technology in the Petroleum Industry. However, several differences exist between a petroleum production riser and a riser for Deep-Sea Mining, mainly related to the internal flow. The ore-slurry has a larger density than the hydrocarbons and shall be pumped with a much higher flowrate. The current software tools for riser’s dynamic analysis may include the internal fluid hydrostatic pressure and the centrifugal and Coriolis forces imposed by the bent pipe’s internal flow. However, the internal pressure drop is not calculated. The internal pressure alters the pipe’s effective tension and can alter the pipe’s bending moment changing its mechanical behavior. This article describes a computational script’s development to run embedded in a commercial software for riser’s dynamic analysis. Our script calculates the internal viscous pressure drop along with the jumper. This pressure is then converted into wall axial tension (buckling) and imposed on each node of the jumper’s numerical model. Each simulation case was calculated twice with and without the internal flow viscous pressure drop. The comparison with experimental data revealed that the jumper’s average position has a good agreement among all cases. However, the amplitude caused by the top oscillation showed some discrepancies. Experimental data has the highest amplitude in the horizontal direction, while the simulation without viscous pressure calculation had the smallest. The simulation with our embedded script had intermediary amplitude in the horizontal direction. The vertical direction amplitudes have the same behavior for all cases, but the experimental data showed the highest amplitude.

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