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Thermodynamic models for vapor–liquid equilibria of nitrogen+oxygen+carbon dioxide at low temperatures

Jadran Vrabec, Gaurav Kumar Kedia, Ulrich Buchhauser, Roland Meyer-Pittroff, Hans Hasse
2009 Cryogenics (Guildford)  
Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N2+O2+CO2.  ...  On the basis of this model, the Henry's law constants of N2 and O2 in CO2 are predicted by molecular simulation.  ...  On the basis of existing models for pure fluids, molecular modelling of mixtures reduces to specifying the interaction between unlike molecules.  ... 
doi:10.1016/j.cryogenics.2008.11.002 fatcat:7wagqiifpzg7rcud3jjfddl6f4

CFD modelling of a liquid–solid fluidized bed

Jack T. Cornelissen, Fariborz Taghipour, Renaud Escudié, Naoko Ellis, John R. Grace
2007 Chemical Engineering Science  
In this study, the multi fluid Eulerian computational fluid dynamics (CFD) model with granular flow extension was used to simulate a binary liquid-solid fluidized bed in the laminar flow, temperature among  ...  In addition, the predicted values of bed voidage, obtained from CFD simulation, have been compared with the predicted value from the property average model and serial model.  ...  CONCLUSIONS The Eulerian CFD 2D simulations based on FLUENT software are developed for water fluidization of binary mixture of glass and pet.  ... 
doi:10.1016/j.ces.2007.07.014 fatcat:yaw4kjxswrfdbdayrd6cdyozre

Study of the consequences of CO2 released from high-pressure pipelines

Xiong Liu, Ajit Godbole, Cheng Lu, Guillaume Michal, Philip Venton
2015 Atmospheric Environment  
Full-bore ruptures of pipelines carrying CO 2 mixtures were simulated using the proposed discharge model.  ...  Full-bore ruptures of pipelines carrying CO 2 mixtures were simulated using the proposed discharge model.  ...  The above analysis is based on the one-dimensional CFD simulation, without the considerations of friction of the pipe wall and heat transfer between the fluid and the environment.  ... 
doi:10.1016/j.atmosenv.2015.06.016 fatcat:gcadegeerrhyfjkfyqcl3uxsu4

Homogeneous Binary Nucleation Theory and the Structure of Binary Nanodroplets [chapter]

Gerald Wilemski
2007 Nucleation and Atmospheric Aerosols  
It then focuses on recent theoretical work to predict the structure of larger binary nanodroplets using density functional theory (DFT) and lattice Monte Carlo (MC) simulations of model aqueous-organic  ...  mixtures.  ...  The DFT model of Li and Wilemski 37 is a binary mixture of hard spheres with attractive Yukawa forces.  ... 
doi:10.1007/978-1-4020-6475-3_55 fatcat:g6bygobranfp3o475cae2biaye

Experimental Data and New Binary Interaction Parameters for Ethanol-Water VLE at Low Pressures Using NRTL and UNIQUAC

Marco Andres Guevara Luna, Fredy Alejandro Fredy Alejandro, Luis Carlos Belalcazar
The parameters and constants for the detailed thermodynamic modeling of the ethanol-water system using polar fluid Soave-Redlich-Kwong equation of state (polar-SRK) are summarized as part of this study  ...  Ethanol is currently one of the most important and attractive sources of energy with a heating value of 12800 kJ/kg.  ...  wish to express their gratitude to: S&SE S.A.S (Smart and Simple Engineering S.A.S) from Colombia for financing this project and offers the computation equipment, python 3.4® codes for the thermodynamic modeling  ... 
doi:10.18180/tecciencia.2018.24.3 fatcat:a7hjartxsfgitfslhefdl257aa

Research progresses and future directions on pool boiling heat transfer

M. Kumar, V. Bhutani, P. Khatak
2015 Journal of Mechanical Engineering and Sciences  
This paper reviews the previous work carried on pool boiling heat transfer during heating of various liquids and commodities categorized as refrigerants and dielectric fluids, pure liquids, nanofluids,  ...  It is characterized by the growth of bubbles on a heated surface.  ...  ACKNOWLEDGEMENTS The authors would like to thanks to Guru Jambheshwar University of Science & Technology, India for assistance and support.  ... 
doi:10.15282/jmes.9.2015.2.0150 fatcat:hb7n752jo5ekll5qkbqvgoq6wq

The composition of liquid methane–nitrogen aerosols in Titan's lower atmosphere from Monte Carlo simulations

George Firanescu, David Luckhaus, Grenfell N. Patey, Sushil K. Atreya, Ruth Signorell
2011 Icarus (New York, N.Y. 1962)  
validate phenomenological models commonly used in atmospheric modeling.  ...  Molecular level Monte Carlo simulations have been performed with various model potentials for the CH 4 -N 2 vapor-liquid equilibrium at conditions prevalent in the atmosphere of Saturn's moon Titan.  ...  This research has been enabled through the generous allocation of advanced computing resources by WestGrid and Compute/Calcul Canada.  ... 
doi:10.1016/j.icarus.2011.01.021 fatcat:ci6xrofj6faqveo6at4eo6yd6a

Equilibria between solid, liquid, and vapor phases in binary Lennard–Jones mixtures

Monica H. Lamm, Carol K. Hall
2002 Fluid Phase Equilibria  
We have used Monte Carlo simulation and the Gibbs-Duhem integration technique to calculate temperaturecomposition and pressure-temperature phase diagrams for binary Lennard-Jones mixtures.  ...  We systematically explore Lennard-Jones parameter space to demonstrate how the features of these phase diagrams change as a function of diameter ratio, well-depth ratio, binary interaction parameter, and  ...  based not only on fluid phase behavior, as was done by Van Konynenburg and Scott, but also on solid phase behavior.  ... 
doi:10.1016/s0378-3812(01)00650-1 fatcat:mfqtuqxlknhpfaoa2givgslwci

Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

Carmelo Herdes, Åsmund Ervik, Andrés Mejía, Erich A. Müller
2018 Fluid Phase Equilibria  
The challenge focused on predicting the liquid-liquid interfacial tension of binary mixtures of dodecane + water, toluene + water and a 50:50 (wt%) mixture of dodecane:toluene + water at 1.825 MPa (250  ...  This work is framed within the Ninth Industrial Fluid Properties Simulation Challenge, with the aim of assessing the capability of molecular simulation methods and force fields to accurately predict the  ...  For the water + toluene mixture, Ervik reported a cross-parameter based on the fitting of interfacial tension of water + toluene mixtures at room temperature and atmospheric pressure [22] .  ... 
doi:10.1016/j.fluid.2017.06.016 fatcat:erph2kpoabbydmd45hiwl3tumm

Potential performance of environmental friendly application of ORC and Flash technology in geothermal power plants

Davide Bonalumi, Paola Bombarda, Costante Invernizzi
2017 Energy Procedia  
As far as the calculations are concerned, the geothermal fluid is assumed to be a mixture of water and possibly CO2.  ...  on the combination of weather and renovation scenarios considered).  ...  Nomenclature Simulation model The simulation model is realized by means of a commercial process simulator [5] .  ... 
doi:10.1016/j.egypro.2017.09.114 fatcat:oof4wyg3eveizhd5dflo5a2qjm

Widom Lines in Binary Mixtures of Supercritical Fluids

Muralikrishna Raju, Daniel T. Banuti, Peter C. Ma, Matthias Ihme
2017 Scientific Reports  
Here, we present first evidence for the existence of multiple Widom lines in binary mixtures from molecular dynamics simulations.  ...  However, the structure of analogous state transitions in mixtures of supercritical fluids has not been determined, and it is not clear whether a Widom line can be identified for binary mixtures.  ...  Depending on the phase behavior of the binary mixture, we observe one or two sets of Widom lines.  ... 
doi:10.1038/s41598-017-03334-3 pmid:28596591 pmcid:PMC5465206 fatcat:blfyijenjvdjxjnznopolq5ile


Thanatepon Tangpattanatana, Veeraya Jiradilok, Pornpote Piumsomboon, Benjapon Chalermsinsuwan
2016 Jurnal Teknologi  
The objective of this research was to compare the effect of a binary mixture between coal, including 500, 700 and 1000-micron size, and sand, 180-micron size, on the mixing behavior in a fluidized bed  ...  The EMMS drag model was then used for further computational fluid dynamics simulation. The levels of mixing between sand and coal were predicted by turbulent dispersion coefficient.  ...  This model is also employed in this study. For the solid particle binary mixture, the effect of interaction between two phases, or drag on the system hydrodynamics, has been extensively explored.  ... 
doi:10.11113/jt.v78.8990 fatcat:72gdd2fcojdklfqqhval2wocfe

Thermodynamic Modelling of Petroleum Fluids

J.C. de Hemptinne, E. Béhar
2006 Oil & Gas Science and Technology  
Abstract -Thermodynamic Modelling of Petroleum Fluids -The recent developments and challenges of petroleum thermodynamics are presented in the various papers of this special issue of Oil and Gas Science  ...  Au contraire, si on recherche plutôt un modèle prédictif (peu ou pas de données sont disponibles), on préférera utiliser un modèle dont la conception physique est solide.  ...  ACKNOWLEDGEMENTS The authors wish to thank their colleagues who participated in the progressive improvement of this paper.  ... 
doi:10.2516/ogst:2006036a fatcat:nflb6smlmjdzxnir2re6h2qili

Thermodiffusion in multicomponent n-alkane mixtures

Guillaume Galliero, Henri Bataller, Jean-Patrick Bazile, Joseph Diaz, Fabrizio Croccolo, Hai Hoang, Romain Vermorel, Pierre-Arnaud Artola, Bernard Rousseau, Velisa Vesovic, M. Mounir Bou-Ali, José M. Ortiz de Zárate (+5 others)
2017 npj Microgravity  
The measured condensate gas data have been used to quantify the influence of thermodiffusion on the initial fluid distribution of an idealised one dimension reservoir.  ...  However, despite recent progress, thermodiffusion is still difficult to measure and model in multicomponent mixtures.  ...  and software of the microgravity experimental set up flown on SJ-10.  ... 
doi:10.1038/s41526-017-0026-8 pmid:28879228 pmcid:PMC5554197 fatcat:t6ilibq7mvgzzk2c66ycjawfom

Measurement and modeling of the phase behavior of solvent diluted bitumens

P. Agrawal, F.F. Schoeggl, M.A. Satyro, S.D. Taylor, H.W. Yarranton
2012 Fluid Phase Equilibria  
The data were modeled with the Advanced Peng-Robinson equation of state. The maltene fraction of the bitumen was characterized into pseudo-components based on extrapolated distillation data.  ...  The asphaltenes were characterized based on a Gamma distribution of iv the molecular weights of self-associated asphaltenes.  ...  characterizations of the condensate and the bitumen based on the assays 3. measure saturation pressures of the live oils, mixtures of bitumen and condensate, and mixtures of bitumen and pentane  ... 
doi:10.1016/j.fluid.2012.07.025 fatcat:4wsy6erlrjgtjh52xv3wucdkle
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