Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 115, 2017 - Issue 9-12: Special Issue in Honour of Professor Johann Fischer
Submit an article Journal homepage
1,673
Views
59
CrossRef citations to date
0
Altmetric
Articles

How well does the Lennard-Jones potential represent the thermodynamic properties of noble gases?

Gábor RutkaiLehrstuhl für Thermodynamik und Energietechnik, Universität Paderborn, Paderborn, GermanyView further author information
,
Monika TholLehrstuhl für Thermodynamik, Ruhr-Universität Bochum, Bochum, GermanyView further author information
,
Roland SpanLehrstuhl für Thermodynamik, Ruhr-Universität Bochum, Bochum, GermanyView further author information
&
Jadran VrabecLehrstuhl für Thermodynamik und Energietechnik, Universität Paderborn, Paderborn, GermanyCorrespondence[email protected]
View further author information
Pages 1104-1121 | Received 30 Aug 2016, Accepted 30 Sep 2016, Published online: 03 Nov 2016

Citations (59)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (4)

Isabel Nitzke, Sven Pohl, Monika Thol, Roland Span & Jadran Vrabec. (2022) How well does the Tang-Toennies potential represent the thermodynamic properties of argon?. Molecular Physics 120:11.
Read now
Isabel Nitzke, Konstantin Fackeldey & Jadran Vrabec. (2022) Long range corrections for inhomogeneous fluids containing a droplet or a bubble. Molecular Simulation 48:1, pages 73-86.
Read now
Bjørn Hafskjold, Karl Patrick Travis, Amanda Bailey Hass, Morten Hammer, Ailo Aasen & Øivind Wilhelmsen. (2019) Thermodynamic properties of the 3D Lennard-Jones/spline model. Molecular Physics 117:23-24, pages 3754-3769.
Read now
Martin P. Lautenschlaeger, Martin Horsch & Hans Hasse. (2019) Simultaneous determination of thermal conductivity and shear viscosity using two-gradient non-equilibrium molecular dynamics simulations. Molecular Physics 117:2, pages 189-199.
Read now

Articles from other publishers (55)

Vahideh Alizadeh, Marco Garofalo, Carsten Urbach & Barbara Kirchner. (2024) A Hybrid Monte Carlo study of argon solidification. Zeitschrift für Naturforschung B 79:4, pages 283-291.
Crossref
Denis Saric, Ian H. Bell, Gabriela Guevara-Carrion & Jadran Vrabec. (2024) Influence of repulsion on entropy scaling and density scaling of monatomic fluids. The Journal of Chemical Physics 160:10.
Crossref
Katherine Mizrahi Rodriguez, Sharon Lin, Albert X. Wu, Kayla R. Storme, Taigyu Joo, Aristotle F. Grosz, Naksha Roy, Duha Syar, Francesco M. Benedetti & Zachary P. Smith. (2024) Penetrant-induced plasticization in microporous polymer membranes. Chemical Society Reviews 53:5, pages 2435-2529.
Crossref
Dominik Schaefer, Babette Kunstmann, Sebastian Schmitt, Hans Hasse & Maximilian Kohns. (2024) Explosions of nanodroplets studied with molecular dynamics simulations. Physics of Fluids 36:3.
Crossref
Simon Homes & Jadran Vrabec. (2024) Resistivities across the vapor–liquid interface of a simple fluid: An assessment of methods. Physics of Fluids 36:2.
Crossref
Manuel Längle, Kenichiro Mizohata, Clemens Mangler, Alberto Trentino, Kimmo Mustonen, E. Harriet Åhlgren & Jani Kotakoski. (2024) Two-dimensional few-atom noble gas clusters in a graphene sandwich. Nature Materials.
Crossref
Dimitrios Angelis, Filippos Sofos & Theodoros E. Karakasidis. (2024) Reassessing the transport properties of fluids: A symbolic regression approach. Physical Review E 109:1.
Crossref
Ivan V. Nikolaev, Pavel V. Stishenko, Vladimir V. Yakovlev & Nikolay G. Korobeishchikov. (2023) Effect of gas cluster species on crater formation for fused silica. Journal of Non-Crystalline Solids 619, pages 122590.
Crossref
Johann Fischer & Martin Wendland. (2023) On the history of key empirical intermolecular potentials. Fluid Phase Equilibria 573, pages 113876.
Crossref
Ian H. Bell, Jacob W. Leachman, Albert F. Rigosi & Heather M. Hill. (2023) Quantum entropic effects in the liquid viscosities of hydrogen, deuterium, and neon. Physics of Fluids 35:8.
Crossref
Debolina Chakraborty, Sumaiya Jannat Esha, Sudipta Paul & Mohammad Nasim Hasan. (2023) Nanoscale liquid-vapor phase change characteristics of binary mixtures from molecular dynamics perspective. Journal of Molecular Liquids 384, pages 122191.
Crossref
N. A. Torkhov, V. A. Buchelnikova, A. A. Mosunov & I. V. Ivonin. (2023) AFM methods for studying the morphology and micromechanical properties of the membrane of human buccal epithelium cell. Scientific Reports 13:1.
Crossref
Dominik Schaefer, Simon Stephan, Kai Langenbach, Martin T. Horsch & Hans Hasse. (2023) Mass Transfer through Vapor–Liquid Interfaces Studied by Non-Stationary Molecular Dynamics Simulations. The Journal of Physical Chemistry B 127:11, pages 2521-2533.
Crossref
Bhanuday Sharma, Savitha Pareek & Rakesh Kumar. (2023) Bulk viscosity of dilute monatomic gases revisited. European Journal of Mechanics - B/Fluids 98, pages 32-39.
Crossref
Sven Pohl, Robin Fingerhut, Monika Thol, Jadran Vrabec & Roland Span. (2023) Equation of state for the Mie ( λ r,6) fluid with a repulsive exponent from 11 to 13 . The Journal of Chemical Physics 158:8.
Crossref
Peter Schmidt, Alexander Vogel, Benedikt Schwarze, Florian Seufert, Kai Licha, Virginia Wycisk, Wolfgang Kilian, Peter W. Hildebrand & Lorenz Mitschang. (2023) Towards Probing Conformational States of Y2 Receptor Using Hyperpolarized 129Xe NMR. Molecules 28:3, pages 1424.
Crossref
Chenyang Sun, Yaning Zhang, Chaofeng Hou & Wei Ge. (2022) A new correlation model for predicting the melting and boiling temperatures of the Lennard-Jones systems. Physica Scripta 98:1, pages 015702.
Crossref
B.P. Akhouri & J.R. Solana. (2022) Thermodynamic properties of Ar, Kr and Xe from a Monte Carlo-based perturbation theory with an effective two-body Lennard-Jones potential. Physica A: Statistical Mechanics and its Applications 608, pages 128280.
Crossref
Olav Galteland, Michael T. Rauter, Mina S. Bratvold, Thuat T. Trinh, Dick Bedeaux & Signe Kjelstrup. (2022) Local Thermodynamic Description of Isothermal Single-Phase Flow in Simple Porous Media. Transport in Porous Media 145:1, pages 153-173.
Crossref
Ciprian G. Pruteanu, John S. Loveday, Graeme J. AcklandJohn E. Proctor. (2022) Krypton and the Fundamental Flaw of the Lennard-Jones Potential. The Journal of Physical Chemistry Letters 13:35, pages 8284-8289.
Crossref
Angela M. Jaramillo-Granada, A. D. Reyes-Figueroa & J. C. Ruiz-Suárez. (2022) Xenon and Krypton Dissolved in Water Form Nanoblobs: No Evidence for Nanobubbles. Physical Review Letters 129:9.
Crossref
Wenbin Zhou, Dongmei Han, Hualin Ma, Yanke Hu & Guodong Xia. (2022) Molecular dynamics study on enhanced nucleate boiling heat transfer on nanostructured surfaces with rectangular cavities. International Journal of Heat and Mass Transfer 191, pages 122814.
Crossref
Huangrui Mo, Xiaoqing You, Kai Hong Luo & Struan H. Robertson. (2022) On the determination of Lennard-Jones parameters for polyatomic molecules. Physical Chemistry Chemical Physics 24:17, pages 10147-10159.
Crossref
Lyuba Alboul & Sergey V. Lishchuk. (2022) Bulk viscosity of gaseous argon from molecular dynamics simulations. Physical Review E 105:5.
Crossref
Johannes Rößler, Ivan Antolović, Simon Stephan & Jadran Vrabec. (2022) Assessment of thermodynamic models via Joule–Thomson inversion. Fluid Phase Equilibria 556, pages 113401.
Crossref
Matthias Heinen, Simon Homes, Gabriela Guevara-Carrion & Jadran Vrabec. 2022. Droplet Dynamics Under Extreme Ambient Conditions. Droplet Dynamics Under Extreme Ambient Conditions 251 268 .
Danilo de Camargo Branco & Gary J. Cheng. (2021) Employing Hybrid Lennard-Jones and Axilrod-Teller Potentials to Parametrize Force Fields for the Simulation of Materials’ Properties. Materials 14:21, pages 6352.
Crossref
Ulrich K. Deiters & Richard J. Sadus. (2021) Interatomic Interactions Responsible for the Solid–Liquid and Vapor–Liquid Phase Equilibria of Neon. The Journal of Physical Chemistry B 125:30, pages 8522-8531.
Crossref
Matteo Baggioli & Alessio Zaccone. (2021) Explaining the specific heat of liquids based on instantaneous normal modes. Physical Review E 104:1.
Crossref
Timon Hitz, Steven Jöns, Matthias Heinen, Jadran Vrabec & Claus-Dieter Munz. (2021) Comparison of macro- and microscopic solutions of the Riemann problem II. Two-phase shock tube. Journal of Computational Physics 429, pages 110027.
Crossref
Ulices Que-Salinas, Pedro E. Ramírez-González & Alexis Torres-Carbajal. (2021) Determination of thermodynamic state variables of liquids from their microscopic structures using an artificial neural network. Soft Matter 17:7, pages 1975-1984.
Crossref
René Spencer Chatwell, Robin Fingerhut, Gabriela Guevara-Carrion, Matthias Heinen, Timon Hitz, Y. Mauricio Muñoz-Muñoz, Claus-Dieter Munz & Jadran Vrabec. 2021. High Performance Computing in Science and Engineering '19. High Performance Computing in Science and Engineering '19 569 581 .
H. Wiebe, T. L. Underwood & G. J. Ackland. (2020) Phase behavior of the quantum Lennard-Jones solid. The Journal of Chemical Physics 153:7.
Crossref
Nayef M. Alsaifi. (2020) Simulation‐based equations of state for the Lennard‐Jones fluid: Apparent success and hidden failure . AIChE Journal 66:7.
Crossref
Simon Stephan & Hans Hasse. (2020) Interfacial properties of binary mixtures of simple fluids and their relation to the phase diagram. Physical Chemistry Chemical Physics 22:22, pages 12544-12564.
Crossref
René Spencer Chatwell & Jadran Vrabec. (2020) Bulk viscosity of liquid noble gases. The Journal of Chemical Physics 152:9.
Crossref
Muhammad Ali Javed, Elmar Baumhögger & Jadran Vrabec. (2020) Thermodynamic speed of sound of xenon. The Journal of Chemical Thermodynamics 141, pages 105933.
Crossref
Timon Hitz, Matthias Heinen, Jadran Vrabec & Claus-Dieter Munz. (2020) Comparison of macro- and microscopic solutions of the Riemann problem I. Supercritical shock tube and expansion into vacuum. Journal of Computational Physics 402, pages 109077.
Crossref
Simon Stephan & Hans Hasse. (2020) Molecular interactions at vapor-liquid interfaces: Binary mixtures of simple fluids. Physical Review E 101:1.
Crossref
Simon Stephan, Maximilian Dyga, Herbert M. Urbassek & Hans Hasse. (2019) The Influence of Lubrication and the Solid–Fluid Interaction on Thermodynamic Properties in a Nanoscopic Scratching Process. Langmuir 35:51, pages 16948-16960.
Crossref
Alireza Moradzadeh & N. R. Aluru. (2019) Molecular Dynamics Properties without the Full Trajectory: A Denoising Autoencoder Network for Properties of Simple Liquids. The Journal of Physical Chemistry Letters 10:24, pages 7568-7576.
Crossref
Yongchul G. Chung, Emmanuel Haldoupis, Benjamin J. Bucior, Maciej Haranczyk, Seulchan LeeHongda Zhang, Konstantinos D. Vogiatzis, Marija Milisavljevic, Sanliang Ling, Jeffrey S. Camp, Ben SlaterJ. Ilja Siepmann, David S. Sholl & Randall Q. Snurr. (2019) Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019. Journal of Chemical & Engineering Data 64:12, pages 5985-5998.
Crossref
Laurent Bétermin & Mircea Petrache. (2019) Optimal and non-optimal lattices for non-completely monotone interaction potentials. Analysis and Mathematical Physics 9:4, pages 2033-2073.
Crossref
Simon Stephan, Monika Thol, Jadran Vrabec & Hans Hasse. (2019) Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment. Journal of Chemical Information and Modeling 59:10, pages 4248-4265.
Crossref
Bedir Halci, Veysel Gazi & Onur Cihan. (2019) Modelling and Coordination of a Swarm of Quadrotors Using Lagrange Dynamics and Potential Functions. Modelling and Coordination of a Swarm of Quadrotors Using Lagrange Dynamics and Potential Functions.
Ian H. Bell, Richard Messerly, Monika Thol, Lorenzo Costigliola & Jeppe C. Dyre. (2019) Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid. The Journal of Physical Chemistry B 123:29, pages 6345-6363.
Crossref
Martin P. Lautenschlaeger & Hans Hasse. (2019) Shear-rate dependence of thermodynamic properties of the Lennard-Jones truncated and shifted fluid by molecular dynamics simulations. Physics of Fluids 31:6, pages 063103.
Crossref
Martin P. Lautenschlaeger & Hans Hasse. (2019) Transport properties of the Lennard-Jones truncated and shifted fluid from non-equilibrium molecular dynamics simulations. Fluid Phase Equilibria 482, pages 38-47.
Crossref
Martin P. Lautenschlaeger & Hans Hasse. (2018) Thermal and caloric properties of fluids from non-equilibrium molecular dynamics simulations using the two-gradient method. The Journal of Chemical Physics 149:24.
Crossref
Simon Stephan, Jinlu Liu, Kai Langenbach, Walter G. Chapman & Hans Hasse. (2018) Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory. The Journal of Physical Chemistry C 122:43, pages 24705-24715.
Crossref
Richard A. Messerly, Michael R. Shirts & Andrei F. Kazakov. (2018) Uncertainty quantification confirms unreliable extrapolation toward high pressures for united-atom Mie λ -6 force field . The Journal of Chemical Physics 149:11.
Crossref
Peter Mausbach, Andreas Köster & Jadran Vrabec. (2018) Liquid state isomorphism, Rosenfeld-Tarazona temperature scaling, and Riemannian thermodynamic geometry. Physical Review E 97:5.
Crossref
Andreas Köster, Peter Mausbach & Jadran Vrabec. (2017) Premelting, solid-fluid equilibria, and thermodynamic properties in the high density region based on the Lennard-Jones potential. The Journal of Chemical Physics 147:14.
Crossref
Lívia B. Pártay, Christoph Ortner, Albert P. Bartók, Chris J. Pickard & Gábor Csányi. (2017) Polytypism in the ground state structure of the Lennard-Jonesium. Physical Chemistry Chemical Physics 19:29, pages 19369-19376.
Crossref
José Ramón Solana Quirós & Binay Akhouri. (2022) Thermodynamic Properties of Ar, Kr and Xe from a Monte Carlo- Based Perturbation Theory with an Effective Two-Body Lennard-Jones Potential. SSRN Electronic Journal.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.