Publications
135 results found
Galliero G, Bataller H, Croccolo F, et al., 2015, Impact of thermodiffusion on the initial vertical distribution of species in hydrocarbon reservoirs, Microgravity Science and Technology, Vol: 28, Pages: 79-86, ISSN: 1875-0494
In this work we propose a methodology, based on molecular dynamics simulations, to quantify the influence of segregation and thermodiffusion on the initial state distribution of the fluid species in hydrocarbon reservoirs. This convection-free approach has been applied to a synthetic oil composed of three normal alkanes and to a real acid gas. It has been found that the thermodiffusion effect induced by the geothermal gradient is similar (but opposite in sign) to that due to segregation for both mixtures. In addition, because of the combined effect of thermal expansion and thermodiffusion, it has been observed that the density gradient can be reversed, in the presence of a geothermal gradient. These numerical results emphasize the need of improving our quantification of thermodiffusion in multicomponent mixtures. The SCCO-SJ10 experiments will be a crucial step towards this goal.
Migliore C, Tubilleja C, Vesovic V, 2015, Weathering prediction model for stored liquefied natural gas (LNG), Journal of Natural Gas Science and Engineerin, Vol: 26, Pages: 570-580, ISSN: 1875-5100
A model is proposed to predict the weathering of LNG stored in containment tanks, typically used in regasification terminals, due to the effects of heat ingress and Boil-off-Gas (BOG) release. The model integrates a rigorous thermodynamic model of LNG vapour–liquid equilibrium and a realistic heat transfer model. It provides a number of advances on previously developed models, in so far as: (i) heat ingress is calculated based on the outside temperature and LNG composition, that allows for daily or seasonal variation; (ii) Boil-off-Ratio is not an input parameter, but is calculated as part of the simulations and (iii) the LNG density is estimated using an accurate experimentally based correlation.The model was validated using real industry data and the agreement obtained in predicting the overall composition of weathered LNG, its density and the amount vaporized was within current industry requirements. The model was run in the predictive mode to explore the sensitivity of BOG to different scenarios. In the initial stages of weathering the nitrogen content of LNG will have a marked effect on BOG generation. Even the presence of 0.5% of nitrogen will lead to nearly a 7% decrease in BOG, making the initial BOG unmarketable. The high sensitivity is a result of preferential evaporation of nitrogen and increase in the direct differential molar latent heat. In the final stages of weathering the heavier hydrocarbons govern the dynamics of BOG which becomes a strong function of the initial composition and the level of LNG remaining in the storage tank.The change in ambient temperature of 1 °C will lead to a change in BOG of 0.2%, irrespective of the size of the tank and initial LNG composition.
Balogun B, Riesco N, Vesovic V, 2015, Reference Correlation of the Viscosity of para-Xylene from the Triple Point to 673 K and up to 110 MPa, Journal of Physical and Chemical Reference Data, Vol: 44, ISSN: 1529-7845
A new correlation for the viscosity of para-xylene (p-xylene) is presented. The correlationis based upon a body of experimental data that has been critically assessed for internalconsistency and for agreement with theory. It is applicable in the temperature range fromthe triple point to 673 K at pressures up to 110 MPa. The overall uncertainty of the proposedcorrelation, estimated as the combined expanded uncertainty with a coverage factor of 2,varies from 0.5% for the viscosity of the dilute gas to 5% for the highest temperaturesand pressures of interest. Tables of the viscosity generated by the relevant equations, atselected temperatures and pressures and along the saturation line, are provided.
Hellmann R, Bich E, Vogel E, et al., 2014, Intermolecular potential energy surface and thermophysical properties of the CH4-N-2 system, Journal of Chemical Physics, Vol: 141, Pages: 1-10, ISSN: 0021-9606
A five-dimensional potential energy surface (PES) for the interaction of a rigid methane molecule with a rigid nitrogen molecule was determined from quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the CCSD(T) level of theory was utilized to compute a total of 743 points on the PES. The interaction energies were calculated using basis sets of up to quadruple-zeta quality with bond functions and were extrapolated to the complete basis set limit. An analytical site-site potential function with nine sites for methane and five sites for nitrogen was fitted to the interaction energies. The PES was validated by calculating the cross second virial coefficient as well as the shear viscosity and binary diffusion coefficient in the dilute-gas limit for CH4–N2 mixtures. An improved PES was obtained by adjusting a single parameter of the analytical potential function in such a way that quantitative agreement with the most accurate experimental values of the cross second virial coefficient was achieved. The transport property values obtained with the adjusted PES are in good agreement with the best experimental data.
Tariq U, Jusoh ARB, Riesco N, et al., 2014, Reference Correlation of the Viscosity of Cyclohexane from the Triple Point to 700 K and up to 110 MPa, JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, Vol: 43, ISSN: 0047-2689
- Author Web Link
- Open Access Link
- Cite
- Citations: 17
Umla R, Vesovic V, 2014, Viscosity of liquids-Enskog-2σ model, FLUID PHASE EQUILIBRIA, Vol: 372, Pages: 34-42, ISSN: 0378-3812
- Author Web Link
- Cite
- Citations: 5
Vesovic V, Trusler JPM, Assael MJ, et al., 2014, Dense Fluids: Viscosity, EXPERIMENTAL THERMODYNAMICS, VOL IX: ADVANCES IN TRANSPORT PROPERTIES OF FLUIDS, Editors: Assael, Goodwin, Vesovic, Wakeham, Publisher: ROYAL SOC CHEMISTRY, Pages: 253-287, ISBN: 978-1-84973-677-0
- Author Web Link
- Cite
- Citations: 3
Bich E, Mehl JB, Hellmann R, et al., 2014, Dilute Gases, EXPERIMENTAL THERMODYNAMICS, VOL IX: ADVANCES IN TRANSPORT PROPERTIES OF FLUIDS, Editors: Assael, Goodwin, Vesovic, Wakeham, Publisher: ROYAL SOC CHEMISTRY, Pages: 226-252, ISBN: 978-1-84973-677-0
- Author Web Link
- Cite
- Citations: 9
Ciotta F, Trusler JPM, Vesovic V, 2013, Extended hard-sphere model for the viscosity of dense fluids, Fluid Phase Equilibria, Vol: 363, Pages: 239-247, ISSN: 0378-3812
An extended hard-sphere model is reported that may be applied to correlate and predict the viscosity of gases, liquids and supercritical fluids. The method is based on the hard-sphere model of Dymond and Assael and uses their roughness factors and molar core volumes to relate reduced viscosity to a universal function of reduced volume. The extended model behaves correctly in the limit of low densities and offers improved accuracy at high densities. The new universal reference function was determined from a large database of experimental viscosities for alkanes extending up to reduced densities of 0.84. It has been tested by correlating the viscosity of two high-viscosity liquids not used in the development of the universal function and has shown to perform satisfactorily up to reduced densities of approximately 0.9.
Hellmann R, Riesco N, Vesovic V, 2013, Calculation of the relaxation properties of a dilute gas consisting of Lennard-Jones chains, CHEMICAL PHYSICS LETTERS, Vol: 574, Pages: 37-41, ISSN: 0009-2614
- Author Web Link
- Cite
- Citations: 1
Assael MJ, Bogdanou I, Mylona SK, et al., 2013, Reference Correlation of the Thermal Conductivity of <i>n</i>-Heptane from the Triple Point to 600 K and up to 250 MPa, JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, Vol: 42, ISSN: 0047-2689
- Author Web Link
- Cite
- Citations: 32
Hellmann R, Riesco N, Vesovic V, 2013, Calculation of the transport properties of a dilute gas consisting of Lennard-Jones chains, JOURNAL OF CHEMICAL PHYSICS, Vol: 138, ISSN: 0021-9606
- Author Web Link
- Cite
- Citations: 12
Umla R, Riesco N, Vesovic V, 2012, Viscosity of pure fluids-Enskog-2σ model, FLUID PHASE EQUILIBRIA, Vol: 334, Pages: 89-96, ISSN: 0378-3812
- Author Web Link
- Cite
- Citations: 7
Hellmann R, Bich E, Vogel E, et al., 2012, Thermophysical Properties of Dilute Hydrogen Sulfide Gas, JOURNAL OF CHEMICAL AND ENGINEERING DATA, Vol: 57, Pages: 1312-1317, ISSN: 0021-9568
- Author Web Link
- Cite
- Citations: 27
de Wijn AS, Riesco N, Jackson G, et al., 2012, Viscosity of liquid mixtures: The Vesovic-Wakeham method for chain molecules, JOURNAL OF CHEMICAL PHYSICS, Vol: 136, ISSN: 0021-9606
- Author Web Link
- Cite
- Citations: 27
Lawal KA, Crawshaw JP, Boek ES, et al., 2012, Experimental Investigation of Asphaltene Deposition in Capillary Flow, Energy & Fuels, Vol: 26, Pages: 2145-2153
Lawal KA, Vesovic V, Boek ES, 2011, Modeling Permeability Impairment in Porous Media due to Asphaltene Deposition under Dynamic Conditions, ENERGY & FUELS, Vol: 25, Pages: 5647-5659, ISSN: 0887-0624
- Author Web Link
- Cite
- Citations: 25
Cuevas J, Llovell F, Galindo A, et al., 2011, Solid-liquid equilibrium using the SAFT-VR equation of state: Solubility of naphthalene and acetic acid in binary mixtures and calculation of phase diagrams, Symposium on 20 Years of the SAFT Equation of State Recent Advances and Challenges, Publisher: ELSEVIER, Pages: 137-147, ISSN: 0378-3812
- Author Web Link
- Cite
- Citations: 7
Hellmann R, Bich E, Vogel E, et al., 2011, <i>Ab initio</i> intermolecular potential energy surface and thermophysical properties of hydrogen sulfide, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 13, Pages: 13749-13758, ISSN: 1463-9076
- Author Web Link
- Cite
- Citations: 59
Hendriks E, Kontogeorgis GM, Dohrn R, et al., 2010, Industrial Requirements for Thermodynamics and Transport Properties, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Vol: 49, Pages: 11131-11141, ISSN: 0888-5885
- Author Web Link
- Cite
- Citations: 200
Caudwell DR, Trusler JPM, Vesovic V, et al., 2010, Viscosity and Density of Five Hydrocarbon Liquids at Pressures up to 200 MPa and Temperatures up to 473 K (vol 54, pg 359, 2009), JOURNAL OF CHEMICAL AND ENGINEERING DATA, Vol: 55, Pages: 5396-5396, ISSN: 0021-9568
- Author Web Link
- Cite
- Citations: 8
Ciotta F, Maitland G, Smietana M, et al., 2010, Viscosity and Density of Carbon Dioxide + 2,6,10,15,19,23-Hexamethyltetracosane (Squalane). (vol 54, pg 2436, 2009), JOURNAL OF CHEMICAL AND ENGINEERING DATA, Vol: 55, Pages: 4126-4126, ISSN: 0021-9568
- Author Web Link
- Cite
- Citations: 4
Vesovic V, 2010, Thermal Conductivity in the Zero Density Limit-The Current Status, 30th International Thermal Conductivity Conference/18th International Thermal Expansion Symposium, Publisher: DESTECH PUBLICATIONS, INC, Pages: 265-266, ISSN: 0163-9005
Brett DJL, Kucernak AR, Aguiar P, et al., 2010, What happens inside a fuel cell? Developing an experimental functional map of fuel cell performance, ChemPhysChem, Vol: 11, Pages: 2714-2731
Hellmann R, Bich E, Vogel E, et al., 2009, Calculation of the transport and relaxation properties of dilute water vapor, JOURNAL OF CHEMICAL PHYSICS, Vol: 131, ISSN: 0021-9606
- Author Web Link
- Cite
- Citations: 39
Hellmann R, Bich E, Vogel E, et al., 2009, Calculation of the transport and relaxation properties of methane. II. Thermal conductivity, thermomagnetic effects, volume viscosity, and nuclear-spin relaxation, JOURNAL OF CHEMICAL PHYSICS, Vol: 130, ISSN: 0021-9606
- Author Web Link
- Cite
- Citations: 38
Caudwell DR, Trusler JPM, Vesovic V, et al., 2009, Viscosity and Density of Five Hydrocarbon Liquids at Pressures up to 200 MPa and Temperatures up to 473 K, JOURNAL OF CHEMICAL AND ENGINEERING DATA, Vol: 54, Pages: 359-366, ISSN: 0021-9568
- Author Web Link
- Open Access Link
- Cite
- Citations: 114
Ciotta F, Maitland GC, Smietana M, et al., 2009, Viscosity and density of carbon dioside + 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), J.Chem.Eng.Data, Vol: 54, Pages: 2436-2443
The viscosity and density of mixtures of carbon dioxide and 2,6,10,15,19,23-hexamethyltetracosane (squalane)are reported. The measurements were carried out using a vibrating wire instrument over a range oftemperatures from (303.15 to 448.15) K and at pressures ranging from approximately the minimum miscibility pressure at a given composition to 170 MPa. Pure squalane and three different mixtures, with mole fractions of CO2 of 0.423, 0.604, and 0.788, were investigated. The estimated expanded relative uncertainties of themeasurements were +/- 2 % for viscosity and +/- 0.2 % for density with a coverage factor of 2. The data for each composition were correlated by simple expressions with an absolute average relative deviation less than 2 % for viscosity and less than 0.2 % for density. The results show that the addition of CO2 to squalaneat a given pressure and temperature reduces greatly the viscosity and increases slightly the density. A hardsphere model, adjusted to fit the viscosity data of the pure substances but containing no adjustable binary parameters, was tested against the experimental data. Relative deviations bounded by approximately +/- 60% were found.
Hellmann R, Bich E, Vogel E, et al., 2008, Calculation of the transport and relaxation properties of methane. I. Shear viscosity, viscomagnetic effects, and self-diffusion, JOURNAL OF CHEMICAL PHYSICS, Vol: 129, ISSN: 0021-9606
- Author Web Link
- Cite
- Citations: 53
de Wijn AS, Vesovic V, Jackson G, et al., 2008, A kinetic theory description of the viscosity of dense fluids consisting of chain molecules, JOURNAL OF CHEMICAL PHYSICS, Vol: 128, ISSN: 0021-9606
- Author Web Link
- Cite
- Citations: 37
This data is extracted from the Web of Science and reproduced under a licence from Thomson Reuters. You may not copy or re-distribute this data in whole or in part without the written consent of the Science business of Thomson Reuters.