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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 98, 2000 - Issue 1
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Original Articles

Thermodynamic and transport properties of nitrogen and butane mixtures

J. L. RIVERA Departmento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Apdo Postal 55-534, 09340, México, D.F., México
,
J. ALEJANDRE Departmento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Apdo Postal 55-534, 09340, México, D.F., México; Simulación Molecular Instituto Mexicano del Petróleo, Eje central Lazaro Cárdenas 152, Apdo. Postal 14-805, 07730, México, D.F., México
,
S. K. NATH Molecular Simulations Inc., 9685 Scranton Road, San Diego, CA, 92121, USA
&
J. J. DE PABLO Department of Chemical Engineering, University of Wisconsin-Madison, Madison, WI, 53706-1691, USA; Simulación Molecular Instituto Mexicano del Petróleo, Eje central Lazaro Cárdenas 152, Apdo. Postal 14-805, 07730, México, D.F., México
Pages 43-55 | Received 16 Mar 1999, Accepted 17 Aug 1999, Published online: 01 Sep 2009

Citations (32)

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Read on this site (5)

L. Meng & Y.-Y. Duan. (2006) Site–site potential function and second virial coefficients for linear molecules. Molecular Physics 104:18, pages 2891-2899.
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Jadran Vrabec, Jürgen Stoll & Hans Hasse. (2005) Molecular models of unlike interactions in fluid mixtures. Molecular Simulation 31:4, pages 215-221.
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JORGE LÓPEZ-LEMUS & JOSÉ ALEJANDRE. (2003) Simulation of phase equilibria and interfacial properties of binary mixtures on the liquid-vapour interface using lattice sums. Molecular Physics 101:6, pages 743-751.
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J. LÓPEZ-LEMUS & J. ALEJANDRE. (2002) Thermodynamic and transport properties of simple fluids using lattice sums: bulk phases and liquid-vapour interface. Molecular Physics 100:18, pages 2983-2992.
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FernandoA. Escobedo & Zhong Chen. (2001) Simulation of Isoenthalps and Joule-Thomson Inversion Curves of Pure Fluids and Mixtures. Molecular Simulation 26:6, pages 395-416.
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Articles from other publishers (27)

Yu. D. Fomin. (2022) Boiling line and near-critical maxima of propane-nitrogen mixtures. Physical Review E 106:6.
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Fernando Iguazú Ramírez-Zavaleta, Victor Manuel Torres-Dominguez, Gonzalo Viramontes-Gamboa & José Luis Rivera. (2022) Interfacial Forces in Free-Standing Layers of Melted Polyethylene, from Critical to Nanoscopic Thicknesses. Polymers 14:18, pages 3865.
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Celia Martínez-Lázaro, Alfredo González-Calderón & Daniel P. Luis-Jiménez. (2022) Molecular models for O2 and N2 from the second virial coefficient. Journal of Molecular Liquids 360, pages 119419.
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Brian H. Morrow & Judith A. Harrison. (2022) Interfacial Properties of Linear Alkane/Nitrogen Binary Mixtures: Molecular Dynamics Vapor–Liquid Equilibrium Simulations. The Journal of Physical Chemistry B 126:23, pages 4379-4388.
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Yanzhi Zhang, Ming Jia, Ping Yi, Yachao Chang, Zhixia He & Qian Wang. (2021) A molecular dynamics study of binary-component n-alkane fuel vaporization characteristics at sub/supercritical nitrogen environments. Proceedings of the Combustion Institute 38:2, pages 3303-3312.
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Aleksey Vishnyakov, Tim Weathers, Ashvin Hosangadi & Yee C. Chiew. (2020) Molecular models for phase equilibria of alkanes with air components and combustion products I. Alkane mixtures with nitrogen, CO2 and water. Fluid Phase Equilibria 514, pages 112553.
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Nguyen Thi Ai Nhung & Pham Van Tat. (2020) Diagram of vapor‐liquid equilibria for n ‐pentane using hybrid Gibbs ensemble Monte Carlo simulation . Vietnam Journal of Chemistry 58:1, pages 101-107.
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Li Qiao, Shourya Jain & Guiyuan Mo. 2020. High-Pressure Flows for Propulsion Applications. High-Pressure Flows for Propulsion Applications 409 460 .
José L. Rivera & Jack F. Douglas. (2019) Reducing uncertainty in simulation estimates of the surface tension through a two-scale finite-size analysis: thicker is better. RSC Advances 9:61, pages 35803-35812.
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Wenchang Wu, Tobias Klein, Manuel Kerscher, Michael H. Rausch, Thomas M. Koller, Cédric Giraudet & Andreas P. Fröba. (2019) Diffusivities in 1-Alcohols Containing Dissolved H 2 , He, N 2 , CO, or CO 2 Close to Infinite Dilution . The Journal of Physical Chemistry B 123:41, pages 8777-8790.
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Cédric Giraudet, Tobias Klein, Guanjia Zhao, Michael H. Rausch, Thomas M. Koller & Andreas P. Fröba. (2018) Thermal, Mutual, and Self-Diffusivities of Binary Liquid Mixtures Consisting of Gases Dissolved in n -Alkanes at Infinite Dilution . The Journal of Physical Chemistry B 122:12, pages 3163-3175.
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José L. Rivera, Luis Molina-Rodríguez, Mariana Ramos-Estrada, Pedro Navarro-Santos & Enrique Lima. (2018) Interfacial properties of the ionic liquid [bmim][triflate] over a wide range of temperatures. RSC Advances 8:18, pages 10115-10123.
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K. Stöbener, P. Klein, M. Horsch, K. Küfer & H. Hasse. (2016) Parametrization of two-center Lennard-Jones plus point-quadrupole force field models by multicriteria optimization. Fluid Phase Equilibria 411, pages 33-42.
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Thomas M. Koller, Andreas Heller, Michael H. Rausch, Peter Wasserscheid, Ioannis G. Economou & Andreas P. Fröba. (2015) Mutual and Self-Diffusivities in Binary Mixtures of [EMIM][B(CN) 4 ] with Dissolved Gases by Using Dynamic Light Scattering and Molecular Dynamics Simulations . The Journal of Physical Chemistry B 119:27, pages 8583-8592.
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José Matías Garrido, Leslie Cifuentes, Marcela Cartes, Hugo Segura & Andrés Mejía. (2014) High-pressure interfacial tensions for nitrogen+ethanol, or hexane or 2-methoxy-2-methylbutane: A comparison between experimental tensiometry and Monte Carlo simulations. The Journal of Supercritical Fluids 89, pages 78-88.
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Wei Shi & Edward J. Maginn. (2008) Molecular Simulation and Regular Solution Theory Modeling of Pure and Mixed Gas Absorption in the Ionic Liquid 1- n -Hexyl-3-methylimidazolium Bis(Trifluoromethylsulfonyl)amide ([hmim][Tf 2 N]) . The Journal of Physical Chemistry B 112:51, pages 16710-16720.
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Thorsten Schnabel, Jadran Vrabec & Hans Hasse. (2005) Henry’s law constants of methane, nitrogen, oxygen and carbon dioxide in ethanol from 273 to 498 K: Prediction from molecular simulation. Fluid Phase Equilibria 233:2, pages 134-143.
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Johnny Deschamps, Margarida F. Costa Gomes & Agílio A. H. Pádua. (2004) Molecular Simulation Study of Interactions of Carbon Dioxide and Water with Ionic Liquids. ChemPhysChem 5:7, pages 1049-1052.
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Jürgen Stoll, Jadran Vrabec & Hans Hasse. (2004) Vapor–liquid equilibria of mixtures containing nitrogen, oxygen, carbon dioxide, and ethane. AIChE Journal 49:8, pages 2187-2198.
Crossref
B. E. Eichinger & Rajesh Khare. 2002. Encyclopedia of Polymer Science and Technology. Encyclopedia of Polymer Science and Technology.
J.L Rivera & J Alejandre. (2002) Vapor–liquid equilibrium simulations of nitrogen and n-alkane binary mixtures. Colloids and Surfaces A: Physicochemical and Engineering Aspects 207:1-3, pages 223-228.
Crossref
J.L. Rivera, M. Predota, A.A. Chialvo & P.T. Cummings. (2002) Vapor–liquid equilibrium simulations of the SCPDP model of water. Chemical Physics Letters 357:3-4, pages 189-194.
Crossref
Patrice Bordat & Florian Müller-Plathe. (2002) The shear viscosity of molecular fluids: A calculation by reverse nonequilibrium molecular dynamics. The Journal of Chemical Physics 116:8, pages 3362-3369.
Crossref
Jadran Vrabec, Jürgen Stoll & Hans Hasse. (2001) A Set of Molecular Models for Symmetric Quadrupolar Fluids. The Journal of Physical Chemistry B 105:48, pages 12126-12133.
Crossref
José Luis Rivera & José Alejandre. (2001) Transport properties of nitrogen and n-alkane binary mixtures. Fluid Phase Equilibria 185:1-2, pages 389-396.
Crossref
Martin Lísal, William R. Smith & Ivo Nezbeda. (2001) Accurate vapour–liquid equilibrium calculations for complex systems using the reaction Gibbs ensemble Monte Carlo simulation method. Fluid Phase Equilibria 181:1-2, pages 127-146.
Crossref
Yury D. Fomin. (2022) Boiling Line and Near-Critical Maxima of Propane-Nitrogen Mixture. SSRN Electronic Journal.
Crossref

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