Equation of state for chain molecules using a site-interaction model: theory, simulation, and correlation of experimental data

1993 ◽  
Vol 32 (9) ◽  
pp. 2093-2104 ◽  
Author(s):  
Arun Thomas ◽  
Marc D. Donohue
Keyword(s):  
Experimental Data ◽  
Equation Of State ◽  
Model Theory ◽  
Interaction Model ◽  
Chain Molecules ◽  
A Site

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.

Effect of Interaction Modeling in AFM-Based Nanomanipulation

2008 ◽  
Author(s):  
Fakhreddine Landolsi ◽  
Fathi H. Ghorbel ◽  
James B. Dabney
Keyword(s):  
Experimental Data ◽  
Numerical Simulations ◽  
Interaction Model ◽  
Collision Process ◽  
Visual Sensing ◽  
Proposed Model ◽  
Interaction Modeling

AFM-based nanomanipulation is very challenging because of the complex mechanics in tip-sample interactions and the limitations in AFM visual sensing capabilities. In the present paper, we investigate the modeling of AFM-based nanomanipulation emphasizing the effects of the relevant interactions at the nanoscale. The major contribution of the present work is the use of a combined DMT-JKR interaction model in order to describe the complete collision process between the AFM tip and the sample. The coupling between the interactions and the friction at the nanoscale is emphasized. The efficacy of the proposed model to reproduce experimental data is demonstrated via numerical simulations.

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.

scholarly journals Analysis of Equation of State for Carbon Nanotubes

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Jeewan Chandra ◽  
Pooja Kapri Bhatt ◽  
Kuldeep Kholiya
Keyword(s):  
Experimental Data ◽  
Carbon Nanotubes ◽  
Thermal Expansion ◽  
Carbon Nanotube ◽  
Equation Of State ◽  
Compression Behavior ◽  
Nanotube Bundles ◽  
The Individual

Compression behavior of carbon nanotube bundles and individual carbon nanotubes within the bundle has been studied by using the Suzuki, Shanker, and usual Tait formulations. It is found that the Suzuki formulation is not capable of explaining the compression behavior of nanomaterials. Shanker formulation slightly improves the results obtained by the Suzuki formulation, but only usual Tait’s equation (UTE) of state gives results in agreement to the experimental data. The present study reveals that the product of bulk modules and the coefficient of volume thermal expansion remain constant for carbon nanotubes. It has also been found that the individual carbon nanotubes are less compressible than bundles of carbon nanotubes.

scholarly journals Equation of state for rhodium at high pressures

2021 ◽  
Vol 2057 (1) ◽  
pp. 012118
Author(s):  
K V Khishchenko
Keyword(s):  
Experimental Data ◽  
Numerical Simulation ◽  
Equation Of State ◽  
Internal Energy ◽  
Specific Volume ◽  
High Pressures ◽  
Thermodynamic Characteristics ◽  
Wide Range ◽  
Hydrodynamic Processes

Abstract An equation of state has been developed for rhodium in a wide range of changes in the specific volume and internal energy. The results of calculations of the thermodynamic characteristics of this metal are presented in comparison with the available experimental data at high pressures. This equation of state can be used in the numerical simulation of hydrodynamic processes under intense impulse influences on matter.

scholarly journals Test of the hadronic interaction models SIBYLL2.3, EPOS-LHC and QGSJETII- 04 with Tibet EAS core data

2019 ◽  
Vol 208 ◽  
pp. 08013
Author(s):  
M. Amenomori ◽  
X. J. Bi ◽  
D. Chen ◽  
T. L. Chen ◽  
W. Y. Chen ◽  
...  
Keyword(s):  
Experimental Data ◽  
Energy Region ◽  
Interaction Model ◽  
Systematic Errors ◽  
High Energy ◽  
Forward Region ◽  
Hadronic Interaction ◽  
Interaction Models ◽  
Air Shower ◽  
Shower Array

A hybrid experiment has been started by the ASγ experiment at Yangbajing (4300m a.s.l.) in Tibet since May 2009, that consists of a high-energy air-shower-core array (YAC-I) and a high-density air-shower array (Tibet-III). In this paper, we report our results to check the hadronic interaction models SIBYLL2.3, SIBYLL2.1, EPOS-LHC and QGSJETII-04 in the multi-tens TeV energy region using YAC-I+Tibet-III experimental data from May 2009 through January 2010. The effective live time is calculated as 106.05 days. The results show that the description of transverse momentum, inelastic cross-section and inelasticity for the 4 hadronic interaction models is consistent with YAC-I experimental data within 15% systematic errors range in the forward region below 100 TeV. Among them, the EPOS-LHC model is the best hadronic interaction model. Furthermore, we find that the H4a composition model is the best one below the 100 TeV energy region.

scholarly journals EPOS

2019 ◽  
Vol 208 ◽  
pp. 11005
Author(s):  
K. Werner ◽  
B. Guiot ◽  
Iu. Karpenko ◽  
T. Pierog ◽  
G. Sophys ◽  
...  
Keyword(s):  
Experimental Data ◽  
Interaction Model ◽  
Cosmic Ray ◽  
Hadronic Interaction ◽  
Air Shower

We summarize the main features of the hadronic interaction model EPOS, which is used for cosmic ray air shower simulations but also for p-p, p-A, and A-A collisions to be compared with experimental data from LHC and RHIC.

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