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Original Articles

Shear viscosity of linear alkanes through molecular simulations: quantitative tests for n-decane and n-hexadecane

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Pages 1234-1241 | Received 04 Apr 2012, Accepted 06 Jun 2012, Published online: 26 Nov 2012

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Dimitrios Mathas, Walter Holweger, Marcus Wolf, Christof Bohnert, Vasilios Bakolas, Joanna Procelewska, Ling Wang, Scott Bair & Chris-Kriton Skylaris. (2021) Evaluation of Methods for Viscosity Simulations of Lubricants at Different Temperatures and Pressures: A Case Study on PAO-2. Tribology Transactions 64:6, pages 1138-1148.
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Zhixia He, Yuanyuan Shen, Chuqiao Wang, Yanzhi Zhang, Qian Wang & Manolis Gavaises. (2023) Thermophysical properties of n-dodecane over a wide temperature and pressure range via molecular dynamics simulations with modification methods. Journal of Molecular Liquids 371, pages 121102.
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Xueming Yang, Qiang Liu, Xiaozhong Zhang, Chang Ji & Bingyang Cao. (2022) A molecular dynamics simulation study of the densities and viscosities of 1,2,4-trimethylbenzene and its binary mixture with n-decane. Fluid Phase Equilibria 562, pages 113566.
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Xueming Yang, Mingli Zhang, Yue Gao, Jixiang Cui & Bingyang Cao. (2021) Molecular dynamics study on viscosities of sub/supercritical n-decane, n-undecane and n-dodecane. Journal of Molecular Liquids 335, pages 116180.
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Nicholas T. Liesen, Gabriel A. Palermo, Isamu Kusaka & Shunji Egusa. (2020) Measurement and prediction of kinematic viscosity for linear ethers. The Journal of Chemical Physics 153:2.
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Pavao Santak & Gareth Conduit. (2020) Enhancing NEMD with automatic shear rate sampling to model viscosity and correction of systematic errors in modeling density: Application to linear and light branched alkanes. The Journal of Chemical Physics 153:1.
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Konstantinos D. Papavasileiou, Loukas D. Peristeras, Andreas Bick & Ioannis G. Economou. (2019) Molecular Dynamics Simulation of Pure n -Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields . The Journal of Physical Chemistry B 123:29, pages 6229-6243.
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J. P. Ewen, D. M. Heyes & D. Dini. (2018) Advances in nonequilibrium molecular dynamics simulations of lubricants and additives. Friction 6:4, pages 349-386.
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Brian H. Morrow, Sabina Maskey, Micah Z. Gustafson, Dianne J. Luning Prak & Judith A. Harrison. (2018) Impact of Molecular Structure on Properties of n -Hexadecane and Alkylbenzene Binary Mixtures . The Journal of Physical Chemistry B 122:25, pages 6595-6603.
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Hai Hoang, Stéphanie Delage-Santacreu & Guillaume Galliero. (2017) Simultaneous Description of Equilibrium, Interfacial, and Transport Properties of Fluids Using a Mie Chain Coarse-Grained Force Field. Industrial & Engineering Chemistry Research 56:32, pages 9213-9226.
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Tsuyoshi Yamaguchi. (2017) Viscoelastic relaxations of high alcohols and alkanes: Effects of heterogeneous structure and translation-orientation coupling. The Journal of Chemical Physics 146:9.
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N. D. Kondratyuk, G. E. Norman & V. V. Stegailov. (2018) Microscopic mechanisms of diffusion of higher alkanes. Polymer Science, Series A 58:5, pages 825-836.
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James Ewen, Chiara Gattinoni, Foram Thakkar, Neal Morgan, Hugh Spikes & Daniele Dini. (2016) A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants. Materials 9:8, pages 651.
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N D Kondratyuk, A V Lankin, G E Norman & V V Stegailov. (2015) Relaxation and transport properties of liquid n-triacontane. Journal of Physics: Conference Series 653, pages 012107.
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Guillaume Galliero. (2014) Equilibrium, interfacial and transport properties of n-alkanes: Towards the simplest coarse grained molecular model. Chemical Engineering Research and Design 92:12, pages 3031-3037.
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