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Valentina Shevtsova - One of the best experts on this subject based on the ideXlab platform.
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Fickian Diffusion in Ternary Mixtures Composed by 1,2,3,4-Tetrahydronaphthalene, Isobutylbenzene, and n-Dodecane.
The journal of physical chemistry. B, 2016Co-Authors: Vitaliy Sechenyh, Jean Claude Legros, Aliaksndr Mialdun, J. M. Ortiz De Zárate, Valentina ShevtsovaAbstract:We report the Fickian Diffusion coefficients in 20 ternary mixtures formed by 1,2,3,4-tetrahydronaphthalene (THN), isobutylbenzene (IBB) and n-dodecane (nC12) measured by the Taylor dispersion technique at 298.1 K and atmospheric pressure. Four Diffusion coefficients of the ternary mixtures were measured along six concentration paths starting on one binary subsystem and moving toward the other one. We found expressions for the Diffusion matrix of a ternary mixture approaching to the binary limits. The measured Diffusion coefficients were thoroughly verified by comparison with the theoretical asymptotic behavior. The main Diffusion coefficients vary smoothly over the entire concentration space and D11 is always larger than D22. One of the two cross-Diffusion coefficients is of the same order of magnitude as the main ones and, hence, not negligible, whereas the other one is close to zero. The investigated mixtures also comprise compositions that were examined in microgravity experiments in the ESA DCMIX1 project.
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investigation of Fickian Diffusion in the ternary mixtures of water ethanol triethylene glycol and its binary pairs
Physical Chemistry Chemical Physics, 2015Co-Authors: Jean Claude Legros, Aliaksndr Mialdun, Yuri Gaponenko, Thomas Triller, Alexander Hammon, Chiara Bauer, Werner Kohler, Valentina ShevtsovaAbstract:We present a comprehensive experimental study of isothermal Fickian Diffusion in the ternary and binary liquid mixtures of water, ethanol, and triethylene glycol over the entire ternary composition space. 21 ternary mixtures inside the composition triangle have been investigated by means of the Taylor dispersion technique and 30 binary mixtures by Taylor dispersion and/or optical beam deflection in a Soret cell. The scalar binary Diffusion coefficient has been determined along all three binary boundaries of the composition space and compared with estimations based on the Stokes-Einstein relation using stick or slip boundary conditions. The four elements of the ternary Diffusion matrix and the Diffusion eigenvalues were determined over a large portion of the composition triangle. The pseudo-binary Diffusion coefficients obtained in Taylor dispersion experiments with either one of the two independent concentrations kept constant are comparable to the two Diffusion eigenvalues. One of the two off-diagonal elements of the Diffusion matrix is of the same order as the diagonal ones and, hence, not negligible, whereas the other one is approximately one order of magnitude smaller. Where available, our results compare well with literature data. The investigated compositions also comprise the five compositions that are scheduled for microgravity experiments in the ESA DCMIX3 project.
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investigation of Fickian Diffusion in the ternary mixture of 1 2 3 4 tetrahydronaphthalene isobutylbenzene and dodecane
Journal of Chemical Physics, 2013Co-Authors: A Mialdun, Vitaliy Sechenyh, Jean Claude Legros, J Ortiz M De Zarate, Valentina ShevtsovaAbstract:We present a comprehensive analysis of experimental results obtained for Fickian Diffusion in the benchmark ternary liquid mixture of 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and dodecane (nC12) with equal mass fractions. Isothermal Diffusion coefficients have been measured by two independent experimental methods: by Taylor dispersion technique, and by a counter flow cell fitted with an optical interferometry device. The experimental Diffusion matrices have been critically analyzed regarding the Onsager reciprocal relations, for which we introduce a matrix asymmetry index s2 that is independent of the frame of reference and the component order.
Jean Claude Legros - One of the best experts on this subject based on the ideXlab platform.
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Fickian Diffusion in Ternary Mixtures Composed by 1,2,3,4-Tetrahydronaphthalene, Isobutylbenzene, and n-Dodecane.
The journal of physical chemistry. B, 2016Co-Authors: Vitaliy Sechenyh, Jean Claude Legros, Aliaksndr Mialdun, J. M. Ortiz De Zárate, Valentina ShevtsovaAbstract:We report the Fickian Diffusion coefficients in 20 ternary mixtures formed by 1,2,3,4-tetrahydronaphthalene (THN), isobutylbenzene (IBB) and n-dodecane (nC12) measured by the Taylor dispersion technique at 298.1 K and atmospheric pressure. Four Diffusion coefficients of the ternary mixtures were measured along six concentration paths starting on one binary subsystem and moving toward the other one. We found expressions for the Diffusion matrix of a ternary mixture approaching to the binary limits. The measured Diffusion coefficients were thoroughly verified by comparison with the theoretical asymptotic behavior. The main Diffusion coefficients vary smoothly over the entire concentration space and D11 is always larger than D22. One of the two cross-Diffusion coefficients is of the same order of magnitude as the main ones and, hence, not negligible, whereas the other one is close to zero. The investigated mixtures also comprise compositions that were examined in microgravity experiments in the ESA DCMIX1 project.
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investigation of Fickian Diffusion in the ternary mixtures of water ethanol triethylene glycol and its binary pairs
Physical Chemistry Chemical Physics, 2015Co-Authors: Jean Claude Legros, Aliaksndr Mialdun, Yuri Gaponenko, Thomas Triller, Alexander Hammon, Chiara Bauer, Werner Kohler, Valentina ShevtsovaAbstract:We present a comprehensive experimental study of isothermal Fickian Diffusion in the ternary and binary liquid mixtures of water, ethanol, and triethylene glycol over the entire ternary composition space. 21 ternary mixtures inside the composition triangle have been investigated by means of the Taylor dispersion technique and 30 binary mixtures by Taylor dispersion and/or optical beam deflection in a Soret cell. The scalar binary Diffusion coefficient has been determined along all three binary boundaries of the composition space and compared with estimations based on the Stokes-Einstein relation using stick or slip boundary conditions. The four elements of the ternary Diffusion matrix and the Diffusion eigenvalues were determined over a large portion of the composition triangle. The pseudo-binary Diffusion coefficients obtained in Taylor dispersion experiments with either one of the two independent concentrations kept constant are comparable to the two Diffusion eigenvalues. One of the two off-diagonal elements of the Diffusion matrix is of the same order as the diagonal ones and, hence, not negligible, whereas the other one is approximately one order of magnitude smaller. Where available, our results compare well with literature data. The investigated compositions also comprise the five compositions that are scheduled for microgravity experiments in the ESA DCMIX3 project.
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investigation of Fickian Diffusion in the ternary mixture of 1 2 3 4 tetrahydronaphthalene isobutylbenzene and dodecane
Journal of Chemical Physics, 2013Co-Authors: A Mialdun, Vitaliy Sechenyh, Jean Claude Legros, J Ortiz M De Zarate, Valentina ShevtsovaAbstract:We present a comprehensive analysis of experimental results obtained for Fickian Diffusion in the benchmark ternary liquid mixture of 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and dodecane (nC12) with equal mass fractions. Isothermal Diffusion coefficients have been measured by two independent experimental methods: by Taylor dispersion technique, and by a counter flow cell fitted with an optical interferometry device. The experimental Diffusion matrices have been critically analyzed regarding the Onsager reciprocal relations, for which we introduce a matrix asymmetry index s2 that is independent of the frame of reference and the component order.
Vitaliy Sechenyh - One of the best experts on this subject based on the ideXlab platform.
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Fickian Diffusion in Ternary Mixtures Composed by 1,2,3,4-Tetrahydronaphthalene, Isobutylbenzene, and n-Dodecane.
The journal of physical chemistry. B, 2016Co-Authors: Vitaliy Sechenyh, Jean Claude Legros, Aliaksndr Mialdun, J. M. Ortiz De Zárate, Valentina ShevtsovaAbstract:We report the Fickian Diffusion coefficients in 20 ternary mixtures formed by 1,2,3,4-tetrahydronaphthalene (THN), isobutylbenzene (IBB) and n-dodecane (nC12) measured by the Taylor dispersion technique at 298.1 K and atmospheric pressure. Four Diffusion coefficients of the ternary mixtures were measured along six concentration paths starting on one binary subsystem and moving toward the other one. We found expressions for the Diffusion matrix of a ternary mixture approaching to the binary limits. The measured Diffusion coefficients were thoroughly verified by comparison with the theoretical asymptotic behavior. The main Diffusion coefficients vary smoothly over the entire concentration space and D11 is always larger than D22. One of the two cross-Diffusion coefficients is of the same order of magnitude as the main ones and, hence, not negligible, whereas the other one is close to zero. The investigated mixtures also comprise compositions that were examined in microgravity experiments in the ESA DCMIX1 project.
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investigation of Fickian Diffusion in the ternary mixture of 1 2 3 4 tetrahydronaphthalene isobutylbenzene and dodecane
Journal of Chemical Physics, 2013Co-Authors: A Mialdun, Vitaliy Sechenyh, Jean Claude Legros, J Ortiz M De Zarate, Valentina ShevtsovaAbstract:We present a comprehensive analysis of experimental results obtained for Fickian Diffusion in the benchmark ternary liquid mixture of 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and dodecane (nC12) with equal mass fractions. Isothermal Diffusion coefficients have been measured by two independent experimental methods: by Taylor dispersion technique, and by a counter flow cell fitted with an optical interferometry device. The experimental Diffusion matrices have been critically analyzed regarding the Onsager reciprocal relations, for which we introduce a matrix asymmetry index s2 that is independent of the frame of reference and the component order.
Abbas Firoozabadi - One of the best experts on this subject based on the ideXlab platform.
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Fickian Diffusion in co2 injection a two phase compositional flow model with fully 3d unstructured gridding
Fuel, 2021Co-Authors: Ali Zidane, Abbas FiroozabadiAbstract:Abstract We present numerical modeling of CO2 injection in lab and field scales using fully unstructured grids with Fickian Diffusion. The focus is on CO2 injection because of its wide range of applications and environmental and economic benefits. We demonstrate predictions of experimental measurement results without tuning and/or adjustment of Fickian Diffusion coefficients and flow parameters. The spatial and temporal discretization in the algorithm allows for accurate description of the physics of the flow. Unstructured gridding at the lab scale simulation increases accuracy of Fickian Diffusion flux computations. In this work we also compare the efficiency and accuracy of our algorithm to two-point and multi-point flux approximations. A grid sensitivity analysis demonstrates low mesh dependency of the model.
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Fickian Diffusion in discrete fractured media from chemical potential gradients and comparison to experiment
Energy & Fuels, 2013Co-Authors: Joachim Moortgat, Abbas FiroozabadiAbstract:Fickian Diffusion can be an important oil recovery mechanism from fractured reservoirs by gas injection, especially when gravitational drainage is inefficient. Without Diffusion, injected gas will flow predominantly through the fractures, resulting in early breakthrough and low oil recovery, but compositional gradients between the fractures and the matrix can drive considerable cross-flow. Additionally, this species exchange can lead to favorable phase behavior, such as swelling and viscosity reduction of oil in the matrix. The modeling of Fickian Diffusion in fractured reservoirs has been hampered by two deficiencies in existing simulators. The first is the use of the generalized classical Fick’s law for multicomponent mixtures, which violates molar balance. The second is the computation of diffusive fluxes across grid edges aligned with phase boundaries. Traditionally, diffusive fluxes are derived from gradients in compositions, computed by finite differencing of compositions in neighboring grid cells. ...
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Form of multicomponent Fickian Diffusion coefficients matrix
The Journal of Chemical Thermodynamics, 2011Co-Authors: J. Wambui Mutoru, Abbas FiroozabadiAbstract:The form of multicomponent Fickian Diffusion coefficients matrix in thermodynamically stable mixtures is established based on the form of phenomenological coefficients and thermodynamic factors. While phenomenological coefficients form a symmetric positive definite matrix, the determinant of thermodynamic factors matrix is positive. As a result, the Fickian Diffusion coefficients matrix has a positive determinant, but its elements — including diagonal elements — can be negative. Comprehensive survey of reported Diffusion coefficients data for ternary and quaternary mixtures, confirms that invariably the determinant of the Fickian Diffusion coefficients matrix is positive.
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higher order compositional modeling with Fickian Diffusion in unstructured and anisotropic media
Advances in Water Resources, 2010Co-Authors: Joachim Moortgat, Abbas FiroozabadiAbstract:Abstract We present advances in compositional modeling of two-phase multi-component flow through highly complex porous media. Higher-order methods are used to approximate both mass transport and the velocity and pressure fields. We employ the Mixed Hybrid Finite Element (MHFE) method to simultaneously solve, to the same order, the pressure equation and Darcy's law for the velocity. The species balance equation is approximated by the discontinuous Galerkin (DG) approach, combined with a slope limiter. In this work we present an improved DG scheme where phase splitting is analyzed at all element vertices in the two-phase regions, rather than only as element averages. This approximation is higher-order than the commonly employed finite volume method and earlier DG approximations. The method reduces numerical dispersion, allowing for an accurate capture of shock fronts and lower dependence on mesh quality and orientation. Further new features are the extension to unstructured grids and support for arbitrary permeability tensors (allowing for both scalar heterogeneity, and shear anisotropy). The most important advancement in this work is the self-consistent modeling of two-phase multi-component Fickian Diffusion. We present several numerical examples to illustrate the powerful features of our combined MHFE–dg method with respect to lower-order calculations, ranging from simple two component fluids to more challenging real problems regarding CO2 injection into a vertical domain saturated with a multi-component petroleum fluid.
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Modeling infinite dilution and Fickian Diffusion coefficients of carbon dioxide in water
AIChE Journal, 2010Co-Authors: J. Wambui Mutoru, Alana Leahy-dios, Abbas FiroozabadiAbstract:We propose a new model for calculating infinite dilution Diffusion coefficients for carbon dioxide and water mixtures. The model takes into account temperature dependence of the dipole moment of water and polarizability of CO2, and fits experimental CO2H2O data at low and high pressures with an accuracy of 4.9%. Remarkably, the proposed model also accurately predicts infinite dilution Diffusion coefficients for other binary water mixtures where solute polarizability is close to that of CO2, such as CH4, C2H6, C3H8, and H2S. Moreover, we present—to the best of our knowledge—the first predictions of composition-based Fickian Diffusion coefficients for CO2H2O mixtures over the temperature range 298.15–413.15 K, and pressures up to 50 MPa. © 2010 American Institute of Chemical Engineers AIChE J, 2011
A Mialdun - One of the best experts on this subject based on the ideXlab platform.
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investigation of Fickian Diffusion in the ternary mixture of 1 2 3 4 tetrahydronaphthalene isobutylbenzene and dodecane
Journal of Chemical Physics, 2013Co-Authors: A Mialdun, Vitaliy Sechenyh, Jean Claude Legros, J Ortiz M De Zarate, Valentina ShevtsovaAbstract:We present a comprehensive analysis of experimental results obtained for Fickian Diffusion in the benchmark ternary liquid mixture of 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and dodecane (nC12) with equal mass fractions. Isothermal Diffusion coefficients have been measured by two independent experimental methods: by Taylor dispersion technique, and by a counter flow cell fitted with an optical interferometry device. The experimental Diffusion matrices have been critically analyzed regarding the Onsager reciprocal relations, for which we introduce a matrix asymmetry index s2 that is independent of the frame of reference and the component order.