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Relevant bibliographies by topics / Molecular Dynamics- Fluids

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Journal articles

Academic literature on the topic 'Molecular Dynamics- Fluids'

Author: Grafiati

Published: 6 September 2023

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Journal articles on the topic "Molecular Dynamics- Fluids"

1

Loya, Adil, Antash Najib, Fahad Aziz, Asif Khan, Guogang Ren, and Kun Luo. "Comparative molecular dynamics simulations of thermal conductivities of aqueous and hydrocarbon nanofluids." Beilstein Journal of Nanotechnology 13 (July 7, 2022): 620–28. http://dx.doi.org/10.3762/bjnano.13.54.

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The addition of metal oxide nanoparticles to fluids has been used as a means of enhancing the thermal conductive properties of base fluids. This method formulates a heterogeneous fluid conferred by nanoparticles and can be used for high-end fluid heat-transfer applications, such as phase-change materials and fluids for internal combustion engines. These nanoparticles can enhance the properties of both polar and nonpolar fluids. In the current paper, dispersions of nanoparticles were carried out in hydrocarbon and aqueous-based fluids using molecular dynamic simulations (MDS). The MDS results h

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2

Toxvaerd, S. "Fragmentation of fluids by molecular dynamics." Physical Review E 58, no. 1 (1998): 704–12. http://dx.doi.org/10.1103/physreve.58.704.

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3

Colonna, Piero, and Paolo Silva. "Dense Gas Thermodynamic Properties of Single and Multicomponent Fluids for Fluid Dynamics Simulations." Journal of Fluids Engineering 125, no. 3 (2003): 414–27. http://dx.doi.org/10.1115/1.1567306.

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The use of dense gases in many technological fields requires modern fluid dynamic solvers capable of treating the thermodynamic regions where the ideal gas approximation does not apply. Moreover, in some high molecular fluids, nonclassical fluid dynamic effects appearing in those regions could be exploited to obtain more efficient processes. This work presents the procedures for obtaining nonconventional thermodynamic properties needed by up to date computer flow solvers. Complex equations of state for pure fluids and mixtures are treated. Validation of sound speed estimates and calculations o

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4

Perez, Felipe, and Deepak Devegowda. "A Molecular Dynamics Study of Primary Production from Shale Organic Pores." SPE Journal 25, no. 05 (2020): 2521–33. http://dx.doi.org/10.2118/201198-pa.

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Summary We created a model of mature kerogen saturated with a black oil. Our fluid model spans light, intermediate, and long alkane chains; and aromatics, asphaltenes, and resins. The maximum pore diameter of our kerogen model is 2.5 nm. The insertion of a microfracture in the system allows us to study fluid transport from kerogen to the microfracture, which is the rate-limiting step in hydrocarbon production from shales. Our results indicate that the composition of the produced fluids changes with time, transitioning from a dry/wet gas to a gas condensate, becoming heavier with time. However,

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5

Barski, Marek, Małgorzata Chwał, and Piotr Kędziora. "Molecular Dynamics in Simulation of Magneto-Rheological Fluids Behavior." Key Engineering Materials 542 (February 2013): 11–27. http://dx.doi.org/10.4028/www.scientific.net/kem.542.11.

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The present paper is devoted to computational simulations of magneto - rheological fluids behavior subjected to external magnetic fields. In order to perform these simulations the modified molecular dynamic algorithm is adopted. The theoretical model of the magneto - rheological fluid in micro scale as well as the basic interactions between the ferromagnetic particles are discussed. Moreover, the classical molecular dynamic algorithm and its necessary modifications are also described. The proposed approach makes possible to study the process of the internal structure (constructed from the ferr

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6

Hawlitzky, M., J. Horbach, and K. Binder. "Simulations of Glassforming Network Fluids: Classical Molecular Dynamics versus Car-Parrinello Molecular Dynamics." Physics Procedia 6 (2010): 7–11. http://dx.doi.org/10.1016/j.phpro.2010.09.021.

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7

Toro-Labbé, Alejándro, Rolf Lustig, and William A. Steele. "Specific heats for simple molecular fluids from molecular dynamics simulations." Molecular Physics 67, no. 6 (1989): 1385–99. http://dx.doi.org/10.1080/00268978900101881.

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8

Das, Sanjit K., Mukul M. Sharma, and Robert S. Schechter. "Solvation Force in Confined Molecular Fluids Using Molecular Dynamics Simulation." Journal of Physical Chemistry 100, no. 17 (1996): 7122–29. http://dx.doi.org/10.1021/jp952281g.

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9

Nwobi, Obika C., Lyle N. Long, and Michael M. Micci. "Molecular Dynamics Studies of Properties of Supercritical Fluids." Journal of Thermophysics and Heat Transfer 12, no. 3 (1998): 322–27. http://dx.doi.org/10.2514/2.6364.

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10

Keblinski, P., J. Eggebrecht, D. Wolf, and S. R. Phillpot. "Molecular dynamics study of screening in ionic fluids." Journal of Chemical Physics 113, no. 1 (2000): 282–91. http://dx.doi.org/10.1063/1.481819.

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