Literatura académica sobre el tema "Molecular Dynamics- Fluids"
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Artículos de revistas sobre el tema "Molecular Dynamics- Fluids"
Loya, Adil, Antash Najib, Fahad Aziz, Asif Khan, Guogang Ren y Kun Luo. "Comparative molecular dynamics simulations of thermal conductivities of aqueous and hydrocarbon nanofluids". Beilstein Journal of Nanotechnology 13 (7 de julio de 2022): 620–28. http://dx.doi.org/10.3762/bjnano.13.54.
Texto completoToxvaerd, S. "Fragmentation of fluids by molecular dynamics". Physical Review E 58, n.º 1 (1 de julio de 1998): 704–12. http://dx.doi.org/10.1103/physreve.58.704.
Texto completoColonna, Piero y Paolo Silva. "Dense Gas Thermodynamic Properties of Single and Multicomponent Fluids for Fluid Dynamics Simulations". Journal of Fluids Engineering 125, n.º 3 (1 de mayo de 2003): 414–27. http://dx.doi.org/10.1115/1.1567306.
Texto completoPerez, Felipe y Deepak Devegowda. "A Molecular Dynamics Study of Primary Production from Shale Organic Pores". SPE Journal 25, n.º 05 (22 de mayo de 2020): 2521–33. http://dx.doi.org/10.2118/201198-pa.
Texto completoBarski, Marek, Małgorzata Chwał y Piotr Kędziora. "Molecular Dynamics in Simulation of Magneto-Rheological Fluids Behavior". Key Engineering Materials 542 (febrero de 2013): 11–27. http://dx.doi.org/10.4028/www.scientific.net/kem.542.11.
Texto completoHawlitzky, M., J. Horbach y 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.
Texto completoToro-Labbé, Alejándro, Rolf Lustig y William A. Steele. "Specific heats for simple molecular fluids from molecular dynamics simulations". Molecular Physics 67, n.º 6 (20 de agosto de 1989): 1385–99. http://dx.doi.org/10.1080/00268978900101881.
Texto completoDas, Sanjit K., Mukul M. Sharma y Robert S. Schechter. "Solvation Force in Confined Molecular Fluids Using Molecular Dynamics Simulation". Journal of Physical Chemistry 100, n.º 17 (enero de 1996): 7122–29. http://dx.doi.org/10.1021/jp952281g.
Texto completoNwobi, Obika C., Lyle N. Long y Michael M. Micci. "Molecular Dynamics Studies of Properties of Supercritical Fluids". Journal of Thermophysics and Heat Transfer 12, n.º 3 (julio de 1998): 322–27. http://dx.doi.org/10.2514/2.6364.
Texto completoKeblinski, P., J. Eggebrecht, D. Wolf y S. R. Phillpot. "Molecular dynamics study of screening in ionic fluids". Journal of Chemical Physics 113, n.º 1 (julio de 2000): 282–91. http://dx.doi.org/10.1063/1.481819.
Texto completoTesis sobre el tema "Molecular Dynamics- Fluids"
Grinberg, Farida. "Ultraslow molecular dynamics of organized fluids". Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-196884.
Texto completoZhang, Junfang. "Computer simulation of nanorheology for inhomogenous fluids". Australasian Digital Thesis Program, 2005. http://adt.lib.swin.edu.au/public/adt-VSWT20050620.095154.
Texto completoA thesis submitted in fulfilment of requirements for the degree of Doctor of Philosophy, Centre for Molecular Simulation, School of Information Technology, Swinburne University of Technology - 2005. Typescript. Bibliography: p. 164-170.
Brookes, Sarah. "Fluids in Nanopores". Thesis, Griffith University, 2016. http://hdl.handle.net/10072/365467.
Texto completoThesis (PhD Doctorate)
Doctor of Philosophy (PhD)
School of Natural Sciences
Science, Environment, Engineering and Technology
Full Text
Siavosh-Haghighi, Ali. "Topics in molecular dynamics". free to MU campus, to others for purchase, 2004. http://wwwlib.umi.com/cr/mo/fullcit?p3164542.
Texto completoVyalov, Ivan. "Molecular dynamics simulation of dissolution of cellulose in supercritical fluids and mixtures of cosolvents/supercritical fluids". Thesis, Lille 1, 2011. http://www.theses.fr/2011LIL10178/document.
Texto completoCellulose is insoluble in neat supercritical CO2 and the main objective of this work was to investigate mixtures of scCO2 with polar cosolvents for the development of new processing technologies for the cellulose dissolution. The objective is achieved by studying the dissolution process of monomer of cellulose and its various polymorphs. The effect of the t/d parameters on the dissolution process was analyzed by molecular dynamics simulation. We begin with analyzing structure of pure supercritical fluids and mixtures of supercritical fluids/cosolvents using unconvential tools: Voronoi tesselations and nearest neighbours approach.Thermodynamics of the mixtures of scCO2/cosolvents is analysed in order to check the validity of the potential models used in our simulations for what the method of thermodynamic integration to calculate the energy, entropy and free energy of mixing was applied. To analyze the dissolution of cellulose we started from studying the solvation free energy of cellobiose(cellulose monomer) which was calculated from molecular dynamics simulations using free energy perturbation method. The influence of conformational degrees of freedom on solvation free energy of cellobiose was also considered.Finally, the direct dissolution of cellulose crystals models in well-known good cellulose solvent(1-ethyl-3-methylimidazolium chloride) and then considered supercritical solvents. It was found that various mixtures of CO2 with cosolvents do not dissolve cellulose but they can considerably affect its crystalline structure whereas ammonia fluid can dissolve cellulose and this process is significantly influenced by temperature, pressure and density
Grinberg, Farida. "Ultraslow molecular dynamics of organized fluids: NMR experiments and Monte-Carlo simulations". Diffusion fundamentals 2 (2005) 119, S. 1-2, 2005. https://ul.qucosa.de/id/qucosa%3A14460.
Texto completoMuscatello, Jordan. "Heat transport in fluids and interfaces via non-equilibrium molecular dynamics simulations". Thesis, Imperial College London, 2013. http://hdl.handle.net/10044/1/11081.
Texto completoAlekseeva, Uliana [Verfasser]. "Adaptive resolution simulations : combining multi-particle-collision dynamics and molecular dynamics simulations for fluids / Uliana Alekseeva". Aachen : Hochschulbibliothek der Rheinisch-Westfälischen Technischen Hochschule Aachen, 2014. http://d-nb.info/105230351X/34.
Texto completoBos�ko, Jaroslaw Tomasz y jbosko@unimelb edu au. "Molecular simulation of dendrimers under shear". Swinburne University of Technology. Centre for Molecular Simulation, 2005. http://adt.lib.swin.edu.au./public/adt-VSWT20050804.141034.
Texto completoLiu, Qianli Zewail Ahmed H. Zewail Ahmed H. "Femtosecond real-time dynamics of solvation : molecular reactions in clusters and supercritical fluids /". Diss., Pasadena, Calif. : California Institute of Technology, 1997. http://resolver.caltech.edu/CaltechETD:etd-04072008-091702.
Texto completoLibros sobre el tema "Molecular Dynamics- Fluids"
Lee, Lloyd L. Molecular thermodynamics of nonideal fluids. Boston: Butterworths, 1988.
Buscar texto completoSadus, Richard J. Molecular simulation of fluids: Theory, algorithms, and object-orientation. Amsterdam: Elsevier, 1999.
Buscar texto completoArce, Pedro F. Fluid phase behavior of systems involving high molecular weight compounds and supercritical fluids. Hauppauge, N.Y: Nova Science Publishers, 2009.
Buscar texto completo1941-, Lichtenthaler Ruediger N. y Azevedo, Edmundo Gomes de, 1949-, eds. Molecular thermodynamics of fluid-phase equilibria. 3a ed. Upper Saddle River, N.J: Prentice Hall PTR, 1999.
Buscar texto completo1941-, Lichtenthaler Ruediger N. y Azevedo, Edmundo Gomes de, 1949-, eds. Molecular thermodynamics of fluid-phase equilibria. 2a ed. Englewood Cliffs, N.J: Prentice-Hall, 1986.
Buscar texto completoComplex dynamics of glass-forming liquids: A mode-coupling theory. New York: Oxford University Press, 2008.
Buscar texto completoMarc, Baus, Rull Luis F, Ryckaert Jean-Paul, North Atlantic Treaty Organization. Scientific Affairs Division. y NATO Advanced Study Institute on Observation, Prediction and Simulation of Phase Transitions in Complex Fluids (1994 : Varenna, Italy), eds. Observation, prediction and simulation of phase transitions in complex fluids. Dordrecht: Kluwer Academic Publishers, 1995.
Buscar texto completoCollins, Michael W. Micro and Nano Flow Systems for Bioanalysis. New York, NY: Springer New York, 2013.
Buscar texto completoGreenspan, Donald. Molecular cavity flow. Arlington: Dept. of Mathematics, University of Texas at Arlington, 1998.
Buscar texto completoAntonchenko, V. I͡A. Fizika vody. Kiev: Nauk. dumka, 1986.
Buscar texto completoCapítulos de libros sobre el tema "Molecular Dynamics- Fluids"
Ladd, Anthony J. C. "Molecular Dynamics". En Computer Modelling of Fluids Polymers and Solids, 55–82. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-2484-0_3.
Texto completoClarke, Julian H. R. "Molecular Dynamics of Chain Molecules". En Computer Modelling of Fluids Polymers and Solids, 203–17. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-2484-0_8.
Texto completoFrenkel, D. "Simulation of Sub-molecular and Supra-molecular Fluids". En Molecular Dynamics Simulations, 111–29. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84713-4_10.
Texto completoPosch, H. A. y W. G. Hoover. "Nonequilibrium Molecular Dynamics of Classical Fluids". En Molecular Liquids: New Perspectives in Physics and Chemistry, 527–47. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2832-2_30.
Texto completoSprik, M. "Molecular Dynamics Techniques for Complex Molecular Systems". En Observation, Prediction and Simulation of Phase Transitions in Complex Fluids, 421–61. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0065-6_10.
Texto completoHeinzinger, K. "Molecular Dynamics Simulations of Aqueous Systems". En Computer Modelling of Fluids Polymers and Solids, 357–94. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-2484-0_14.
Texto completoRapaport, D. C. "Hardware Issues in Molecular Dynamics Algorithm Design". En Computer Modelling of Fluids Polymers and Solids, 249–67. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-2484-0_10.
Texto completoMizan, Tahmid I., Phillip E. Savage y Robert M. Ziff. "A Molecular Dynamics Investigation of Hydrogen Bonding in Supercritical Water". En Innovations in Supercritical Fluids, 47–64. Washington, DC: American Chemical Society, 1995. http://dx.doi.org/10.1021/bk-1995-0608.ch003.
Texto completoSchlamp, S. y B. C. Hathorn. "Molecular dynamics of shock waves in dense fluids". En Shock Waves, 43–50. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-85168-4_6.
Texto completoBrooks, Charles L. "Molecular Simulations of Protein Structure, Dynamics and Thermodynamics". En Computer Modelling of Fluids Polymers and Solids, 289–334. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-2484-0_12.
Texto completoActas de conferencias sobre el tema "Molecular Dynamics- Fluids"
Takagi, Shu, Gota Kikugawa y Yoichiro Matsumoto. "Molecular Dynamics Simulation of Nanobubbles". En ASME/JSME 2003 4th Joint Fluids Summer Engineering Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/fedsm2003-45675.
Texto completoIsaiev, Mykola, Michel Gradeck y Konstantinos Termentzidis. "LEIDENFROST EFFECT, SIMULATION WITH MOLECULAR DYNAMICS". En Second Thermal and Fluids Engineering Conference. Connecticut: Begellhouse, 2017. http://dx.doi.org/10.1615/tfec2017.mnt.017667.
Texto completoSakai, Kiminori y Takashi Tokumasu. "Molecular Dynamics Study of Oxygen Permeation Through the Ionomer of PEFC Catalyst Layer". En ASME-JSME-KSME 2011 Joint Fluids Engineering Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajk2011-36020.
Texto completoWashizu, H., S. Sanda, S. Hyodo, T. Ohmori, N. Nishino y A. Suzuki. "A Molecular Dynamics Analysis of the Traction Fluids". En SAE World Congress & Exhibition. 400 Commonwealth Drive, Warrendale, PA, United States: SAE International, 2007. http://dx.doi.org/10.4271/2007-01-1016.
Texto completoYip, Sidney. "Molecular Dynamics of Dense Fluids: Simulation-Theory Symbiosis". En Symposium in Honor of Dr Berni Alder's 90th Birthday. WORLD SCIENTIFIC, 2017. http://dx.doi.org/10.1142/9789813209428_0009.
Texto completoLi, Ji, Shan Gao, Wei Liu y Zhichun Liu. "CAPILLARY EVAPOTRATION ON NANOPOROUS MEMBRANE: A MOLECULAR DYNAMICS STUDY". En 4th Thermal and Fluids Engineering Conference. Connecticut: Begellhouse, 2019. http://dx.doi.org/10.1615/tfec2019.hpp.028502.
Texto completoDarbandi, Masoud, Hossein Reza Abbasi, Moslem Sabouri y Rasool Khaledi-Alidusti. "Simulation of Heat Transfer in Nanoscale Flow Using Molecular Dynamics". En ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels collocated with 3rd Joint US-European Fluids Engineering Summer Meeting. ASMEDC, 2010. http://dx.doi.org/10.1115/fedsm-icnmm2010-31065.
Texto completoDoi, Kentaro y Satoyuki Kawano. "Theoretical Development of Predicted Iteration Method for Considering Electron Dynamics in Quantum Molecular Dynamics". En ASME-JSME-KSME 2011 Joint Fluids Engineering Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajk2011-36033.
Texto completoLi, Zhong-zhen, L. Chen, Ya-Ling He y Wen-Quan Tao. "Molecular Dynamics Simulation of Methane Adsorption in Shale Matrix". En First Thermal and Fluids Engineering Summer Conference. Connecticut: Begellhouse, 2016. http://dx.doi.org/10.1615/tfesc1.mnt.013032.
Texto completoNwobi, Obika, Lyle Long, Michael Micci, Obika Nwobi, Lyle Long y Michael Micci. "Molecular dynamics studies of transport properties of supercritical fluids". En 35th Aerospace Sciences Meeting and Exhibit. Reston, Virigina: American Institute of Aeronautics and Astronautics, 1997. http://dx.doi.org/10.2514/6.1997-598.
Texto completoInformes sobre el tema "Molecular Dynamics- Fluids"
Smolyanitsky, Alex, Andrei F. Kazakov, Thomas J. Bruno y Marcia L. Huber. Mass diffusion of organic fluids : a molecular dynamics perspective. National Institute of Standards and Technology, mayo de 2013. http://dx.doi.org/10.6028/nist.tn.1805.
Texto completoMorgen, Michael Mark. Femtosecond Raman induced polarization spectroscopy studies of coherent rotational dynamics in molecular fluids. Office of Scientific and Technical Information (OSTI), mayo de 1997. http://dx.doi.org/10.2172/501549.
Texto completoBowers, Geoffrey. Computational and Experimental Investigations of the Molecular Scale Structure and Dynamics of Gologically Important Fluids and Mineral-Fluid Interfaces. Office of Scientific and Technical Information (OSTI), abril de 2017. http://dx.doi.org/10.2172/1365679.
Texto completoR. James Kirkpatrick y Andrey G. Kalinichev. Computational and Spectroscopic Investigations of the Molecular Scale Structure and Dynamics of Geologically Important Fluids and Mineral-Fluid Interfaces. Office of Scientific and Technical Information (OSTI), noviembre de 2008. http://dx.doi.org/10.2172/943318.
Texto completoWong, C. C., A. R. Lopez, M. J. Stevens y S. J. Plimpton. Molecular dynamics simulations of microscale fluid transport. Office of Scientific and Technical Information (OSTI), febrero de 1998. http://dx.doi.org/10.2172/574190.
Texto completoPaesani, Francesco y Wei Xiong. Probing the Structure and Dynamics of Fluid Mixtures in Porous Materials Through Ultrafast Vibrational Spectro-Microscopy and Many-Body Molecular Dynamics. Office of Scientific and Technical Information (OSTI), diciembre de 2022. http://dx.doi.org/10.2172/1901582.
Texto completoMurad, S. Transport properties of dense fluid mixtures using nonequilibrium molecular dynamics. Final report, September 15, 1987--March 14, 1997. Office of Scientific and Technical Information (OSTI), mayo de 1997. http://dx.doi.org/10.2172/491501.
Texto completoMurad, S. Transport properties of dense fluid mixtures using nonequilibrium molecular dynamics. [Viscosity and thermal conductivity of continuous, or polydisperse mixtures]. Office of Scientific and Technical Information (OSTI), septiembre de 1990. http://dx.doi.org/10.2172/6765028.
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