Dissertations / Theses: 'Diffusion, binary liquid mixtures'

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Zhu, Qingyong, Geoffrey D. Moggridge, and Carmine D’Agostino. "A local composition model for the prediction of mutual diffusion coefficients in binary liquid mixtures from tracer diffusion coefficients: A local composition model for the prediction of mutual diffusioncoefficients in binary liquid mixtures from tracer diffusion coefficients." Diffusion fundamentals 24 (2015) 58, S. 1, 2015. https://ul.qucosa.de/id/qucosa%3A14577.

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Zhu, Qingyong, Geoffrey D. Moggridge, and Carmine D’Agostino. "A local composition model for the prediction of mutual diffusion coefficients in binary liquid mixtures from tracer diffusion coefficients." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-198798.

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3

Guenoun, Patrick. "Instabilite des melanges de fluides : influence des forces de pesanteur et de mouillage." Paris 6, 1987. http://www.theses.fr/1987PA066127.

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4

Di, Felice Renzo. "Liquid fluidisation of binary-solid mixtures." Thesis, University College London (University of London), 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.362618.

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Parghi, Deven D. "Antiferroelectric liquid crystals : hosts and binary mixtures." Thesis, University of Hull, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.397062.

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6

Bribesh, Fathi. "Free surface films of binary liquid mixtures." Thesis, Loughborough University, 2012. https://dspace.lboro.ac.uk/2134/9810.

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Model-H is used to describe structures found in the phase separation in films of binary liquid mixture that have a surface that is free to deform and also may energetically prefer one of the components. The film rests on a solid smooth substrate that has no preference for any component. On the one hand the study focuses on static aspects by investigating steady states that are characterised by their concentration and film height profiles. A large variety of such states are systematically analysed by numerically constructing bifurcation diagrams in dependence of a number of control parameters. The numerical method used is based on minimising the free energy functional at given constraints within a finite element method for a variable domain shape. The structure of the bifurcation diagrams is related to the symmetry properties of the individual solutions on the various branches. On the other hand the full time dependent model-H is linearised about selected steady states, in particular, the laterally invariant, i.e.\ layered states. The resulting dispersion relations are discussed and related to the corresponding bifurcation points of the steady states. In general, the results do well agree and confirm each other. The described analysis is performed for a number of important cases whose comparison allows us to gain an advanced understanding of the system behaviour: We distinguish the critical and off-critical case that correspond to zero and non-zero mean concentration, respectively. In the critical case the investigation focuses on (i) flat films without surface bias, (ii) flat films with surface bias, (iii) height-modulated films without surface bias, and (iv) height-modulated films with surface bias. Each case is analysed for several mean film heights and (if applicable) energetic bias at the free surface using the lateral domain size as main control parameter. Linear stability analyses of layered films and symmetry considerations are used to understand the structures of the determined bifurcation diagrams. For off-critical mixtures our study is more restricted. There we consider height-modulated films without and with surface bias for several mean film heights and (if applicable) energetic bias employing the mean concentration as main control parameter.

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Bartle, Elizabeth Anne. "The polymorphism of binary lipid mixtures." Thesis, University of Southampton, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.305427.

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Stevar, M. S. P. "Dissolution dynamics of liquid/liquid binary mixtures in porous media." Thesis, University of Southampton, 2013. https://eprints.soton.ac.uk/349974/.

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In this project has been undertaken an experimental study aimed at understanding the dissolution dynamics of binary mixtures within porous media. The porous medium can be roughly represented as a network of capillary tubes. This allowed for the initial research to be focused on understanding the dissolution dynamics of binary mixtures (i.e. glycerol/water, soybean oil/hexane, and isobutyric acid/water) within single capillary tubes. Further, the dissolution process was investigated within a 2D micromodel built as a network of capillary tubes. In the experiments with the capillary tubes, the dissolution (i.e. the interfacial mass transfer) could be isolated from the hydrodynamic motion while using glycerol/water and soybean oil/hexane binary mixtures. Despite the fact that these are fully miscible liquids, the interface could be observed for rather long time periods. In particular, two phase boundaries were observed moving from the ends into the middle section of the capillary tube with the speeds v∼D^1/3t^-2/3d^2(D, t and d are the coefficient of diffusion, time and diameter of the capillary tube, respectively). The boundaries slowly smeared but their smearing occurred very slow in comparison to their motion. The motion of the phase boundaries cannot be explained by the dependency of the diffusion coefficient on concentration, and could possibly be explained by the effect of barodiffusion. In addition, these solute/solvent boundaries were endowed with non-zero interfacial tension. This experimental study also revealed that the solvent penetration into the micromodel is diffusion-dominated for completely miscible binary mixtures. This is however non-Fickian diffusion with the dissolution rate dV/dt∼D^1/3t^-0.4 for almost the entire duration of the experiment (V is the volume occupied by the solvent, D is the diffusion coefficient and t is time). For the IBA/water mixture the experiments performed at undercritical temperatures revealed that the diffusive mass transport was negligible despite the mixture being out of its thermodynamic equilibrium. Despite a seeming simplicity of the experiments, to the author’s best knowledge, there is no theory that could correctly describe the observed diffusional penetration of a solvent into a solute-filled capillary tube and hence, into a more complex porous volume.

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Cooney, Anthony M. "Thermodynamic properties of binary liquid mixtures containing fluoroalcohols." Thesis, University of Leicester, 1988. http://hdl.handle.net/2381/34062.

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A detailed investigation into the thermodynamic properties of pure fluoroalcohols and binary mixtures containing fluoroalcohols is described. A batch calorimeter was used to measure excess enthalpies over the complete composition range and enthalpies of solution were obtained using an L.K.B. 8700 calorimeter. The excess volumes were determined using both batch and dilution dilatometers. Vapour-liquid equilibrium diagrams for binary mixtures have been determined from vapour pressure measurements using a static vapour pressure apparatus. Enthalpies of vaporisation of the fluoroalcohols were determined from the variation of the vapour pressure with temperature. Solid-liquid equilibrium phase diagrams have been determined using a simple freezing point cell, and liquid-liquid measurements obtained using a synthetic method. A new isothermal dilution calorimeter is also described. Unlike the batch calorimeter it allows a wide composition range to be studied from a single loading. The results for the test systems benzene + cyclo- hexane and benzene + tetrachloromethane obtained with this calorimeter are presented. The results obtained are in excellent agreement with those obtained by other workers.

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Mercer-Chalmers, June Dawn. "The thermodynamics of solutions and binary liquid mixtures." Thesis, Rhodes University, 1993. http://hdl.handle.net/10962/d1005055.

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The thesis is presented in two parts. In part one, the excess thermodynamic properties have been determined for several binary liquid mixtures, with the aim of testing theories of liquid mixtures. The excess molar enthalpies, Hem, have been determined using an LKB flow microcalorimeter, and the excess molar volumes, Vem, have been determined using an Anton Paar densitometer. The HemS and VemS have been measured at 298.15 K for binary systems involving an alkanol (methanol, ethanol, I-propanol, 2-propanol) mixed with a hydrocarbon (l-hexene, I-heptene, l-octene, I-hexyne, I-heptyne, l-octyne, toluene, mesitylene, 0-, m-, or p-xylene, cyclopentane, cyclohexane, cycloheptane, cyclooctane, cyclodecane). The results show trends relating to the degree of unsaturation, or size, of component molecules as well as the position of the hydroxyl group on the alkanol. Measurements were also made on mixtures involving an (n-alkane + a pseudo-n-alkane) and ( a cYcloalkane + a pseudo-cycloalkane). Two theories of liquid mixtures were tested in this work. The first theory tested was the theory of Congruency. This theory was tested, by means of a null test, on a novel set of mixtures involving an n-alkane (hexane, heptane, octane, decane, dodecane) + a pseudo-nalkane,and mixtures of a cycloalkane (cyclopentane, cyclohexane, cycloheptane, cyclooctane)+ a pseudo-cycloalkane. Deviations from the theory was less than the experimental error for the (n-alkane + pseudo-n-alkane) mixtures. However, significant deviations were observed for the mixtures of (a cycloalkane + a pseudo-cycloalkane). The second theory tested was the Flory theory, which has been used to predict the excess molar enthalpies and excess molar volumes for the mixtures involving (a 1-alkene, or 1-alkyne, or methyl-substituted benzene) + an alkanol. The results show that the theory does not hold for hydrocarbon mixtures involving an alkanol. In the second part of this thesis, the partial molar volumes, at infinite dilution, of binary solution involving a solid solute (18-crown-6 ether, dibenzo-18-crown-6 ether, dicyclohexanov 18-crown-6 ether, 15-crown-5 ether, or cryptand-222) are determined in various solvents. The results were repeated with a view to determine the volume changes at infinite dilution upon complexation, ΔV∞ of the crown ether or cryptand with a metal halide salt, MX (NaCl, NaI, KCl, KI, CsCl, CsI). The ΔV∞ results were compared with results in the literature for cryptand-222 (c-222) and dibenzo-18-crown-6 ether (B₂CE6) complexed with MX, and the study was extended to include further MX complexes with c-222 and B₂CE6, as well as MX complexes with 15-crown-5 ether and dicyclohexano-18-crown-6 ether. ΔV∞ results were correlated with the Hepler prediction of the electrostriction solvent effect.

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Binder, Thomas, Christian Chmelik, Jörg Kärger, and Douglas M. Ruthven. "Mass-transfer of binary mixtures in DDR single crystals." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-182920.

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Binder, Kurt, Subir K. Das, Michael E. Fisher, Jürgen Horbach, and Jan V. Sengers. "Interdiffusion in critical binary mixtures by molecular dynamics simulation." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-193274.

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A simulation study of the static and dynamic critical behavior of a symmetric binary Lennard-Jones mixture is briefly reviewed. Using a combination of semi-grand-canonical Monte Carlo (SGMC) and molecular dynamics (MD) methods near the critical temperature of liquid-liquid unmixing, the correlation length and “susceptibility” related to the critical concentration fluctuations are estimated, as well as the self- and interdiffusion coefficients. While the self-diffusion coefficient does not show a detectable critical anomaly, the interdiffusion coefficient is found to vanish when one approaches the critical temperature at fixed critical concentration. It is shown that in the corresponding Onsager coefficient both a divergent singular part and a nonsingular background term need to be taken into account. With appropriate finite-size scaling analysis (the particle numbers studied for the dynamics lie only in the range from N = 400 to 6400), the critical behavior of the interdiffusion coefficient is found to be compatible both with the theoretically predicted behavior and with corresponding experimental evidence.

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13

Bowles, R. J. "Density profiles and concentration fluctuations in liquid binary mixtures." Thesis, University of East Anglia, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.370382.

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Binder, Thomas, Christian Chmelik, Jörg Kärger, and Douglas M. Ruthven. "Mass-transfer of binary mixtures in DDR single crystals." Diffusion fundamentals 20 (2013) 44, S. 1-2, 2013. https://ul.qucosa.de/id/qucosa%3A13614.

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15

Binder, Kurt, Subir K. Das, Michael E. Fisher, Jürgen Horbach, and Jan V. Sengers. "Interdiffusion in critical binary mixtures by molecular dynamics simulation." Diffusion fundamentals 6 (2007) 10, S. 1-12, 2007. https://ul.qucosa.de/id/qucosa%3A14184.

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A simulation study of the static and dynamic critical behavior of a symmetric binary Lennard-Jones mixture is briefly reviewed. Using a combination of semi-grand-canonical Monte Carlo (SGMC) and molecular dynamics (MD) methods near the critical temperature of liquid-liquid unmixing, the correlation length and “susceptibility” related to the critical concentration fluctuations are estimated, as well as the self- and interdiffusion coefficients. While the self-diffusion coefficient does not show a detectable critical anomaly, the interdiffusion coefficient is found to vanish when one approaches the critical temperature at fixed critical concentration. It is shown that in the corresponding Onsager coefficient both a divergent singular part and a nonsingular background term need to be taken into account. With appropriate finite-size scaling analysis (the particle numbers studied for the dynamics lie only in the range from N = 400 to 6400), the critical behavior of the interdiffusion coefficient is found to be compatible both with the theoretically predicted behavior and with corresponding experimental evidence.

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16

Singh, Amrat Paul. "An experimental and theoretical study of binary nematogenic mixtures." Thesis, University of Southampton, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.277801.

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17

Polyakov, P. "Study of the thermal diffusion behavior of simple binary mixtures." Enschede : University of Twente [Host], 2009. http://doc.utwente.nl/60778.

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18

Bennett, Sam. "A Lattice Boltzmann model for diffusion of binary gas mixtures." Thesis, University of Cambridge, 2010. https://www.repository.cam.ac.uk/handle/1810/226851.

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This thesis describes the development of a Lattice Boltzmann (LB) model for a binary gas mixture. Specifically, channel flow driven by a density gradient with diffusion slip occurring at the wall is studied in depth. The first part of this thesis sets the foundation for the multi-component model used in the subsequent chapters. Commonly used single component LB methods use a non-physical equation of state, in which the relationship between pressure and density varies according to the scaling used. This is fundamentally unsuitable for extension to multi-component systems containing gases of differing molecular masses that are modelled with the ideal gas equation of state. Also, existing methods for implementing boundary conditions are unsuitable for extending to novel boundary conditions, such as diffusion slip. Therefore, a new single component LB derivation and a new method for implementing boundary conditions are developed, and validated against Poiseuille flow. However, including a physical equation of state reduces stability and time accuracy, leading to longer computational times, compared with 'incompressible' LB methods. The new method of analysing LB boundary conditions successfully explains observations from other commonly used schemes, such as the slip velocity associated with 'bounce-back'.The new model developed for multi-component gases avoids the pitfalls of some other LB models, a single computational grid is shared by all the species and the diffusivity is independent of the viscosity. The Navier-Stokes equation for the mixture and the Stefan-Maxwell diffusion equation are both recovered by the model. However, the species momentum equations are not recovered correctly and this can lead to instability. Diffusion slip, the non-zero velocity of a gas mixture at a wall parallel to a concentration gradient, is successfully modelled and validated against a simple one-dimensional model for channel flow. To increase the accuracy of the scheme a second order numerical implementation is needed. This can be achieved using a variable transformation method which does not result in an increase in computational time. Simulations were carried out on hydrogen and water diffusion through a narrow channel, with varying total pressure and concentration gradients. For a given value of the species mass flux ratio, the total pressure gradient was dependent on the species concentration gradients. These results may be applicable to fuel cells where the species mass flux ratio is determined by a chemical reaction and the species have opposing velocities. In this case the total pressure gradient is low and the cross-channel average mass flux of hydrogen is independent of the channel width. Finally, solutions for a binary Stefan tube problem were investigated, in which the boundary at one end of a channel is permeable to hydrogen but not water. The water has no total mass flux along the channel but circulates due to the slip velocity at the wall. The cross-channel average mass flux of the hydrogen along the channel increases with larger channel widths. A fuel cell using a mixture of gases, one being inert, will experience similar circulation phenomena and, importantly, the width of the pores will affect performance. This thesis essentially proves the viability of LB models to simulate multi-component gases with diffusion slip boundaries, and identifies the many areas in which improvements could be made.

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Dong, Shaosheng. "Liquid Crystal Polymers And Dendritic Liquid Crystals: Synthesis, Morphology, Rheology And Binary Mixtures." online version, 2005. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=case1094584392.

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20

Sibanda, V. S. "The determination of excess thermodynamic functions of binary liquid mixtures." Thesis, Keele University, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376300.

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21

Howse, Jonathan R. "Reflectivity studies of non-critical interfaces in binary liquid mixtures." Thesis, University of Sheffield, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.310789.

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22

Bemrose, Richard Antony. "A molecular dynamics study of liquid crystal mixtures." Thesis, Sheffield Hallam University, 1999. http://shura.shu.ac.uk/19339/.

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Results are presented from molecular dynamics simulations of binary liquid crystal mixtures using a generalisation of a well established Gay-Berne intermolecular potential. The simulations are undertaken in both the microcanonical (NVE) and the isoenthalpic-isobaric (NPH) ensembles. Firstly a 50:50 mixed system is simulated in the NVE ensemble containing generalised Gay-Berne (GGB) rod-like molecules with length to breadth axial ratios of 3.5:1 (molecules A) and 3:1 (molecules B). The molecules in this system differs only slightly from the well-characterised Gay-Berne (GB) potential with length to breadth ratio of 3:1. It is shown that the system exhibits isotropic (/), nematic (N) and smectic-B (SmB) phases with both the I-N and N-SmB phase boundaries not clearly defined. Competition between two density waves parallel to the director of the same wavelength but different phase lead to a pre-smectic ordering preceding the N-SmB phase transition. The longer molecules are shown to have a consistently higher order parameter the difference being greatest in the nematic phase and decrease with lowering temperature. Although a degree of local ordering is shown within each smectic layer the smectic phase is fully commensurate. Secondly, phase behaviour diagrams are presented from a series of constant-NPH simulations over a range of pressures and concentrations. The binary mixtures exhibit a rich phase behaviour, displaying isotropic, nematic, smectic-A (SmA), induced smectic-A and smectic-B phases depending on the choice of pressure and concentration. It is shown that the temperature range over which the nematic phase is stable can be extended greater than either homogeneous system by elevating the system pressure and/or by choice of concentration, agreeing with experimental results. The mixture exhibits a stable SmA island at a mole fraction of xa = 0.50 depending on the choice of pressure and a narrow induced SmA phase at xa = 0.25.

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23

Huang, Tsang-Min. "Phase Equilibria of Binary Liquid Crystal Mixtures Involving Induced Ordered Phases." University of Akron / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=akron1284381816.

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24

Baxter, Rodney Charles. "The thermodynamics of binary liquid mixtures of compounds containing multiple bonds." Thesis, Rhodes University, 1989. http://hdl.handle.net/10962/d1016079.

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Excess thermodynamic properties have been determined for several binary liquid mixtures with the aim of testing various thermodynamic theories and postulates. Excess molar enthalpies, HEm, have been determined using an LKB flow microcalorimeter and excess molar volumes, VEm, have been determined using an Anton Paar vibrating tube densitometer. The activity coefficients at infinite dilution ƴ∞₁₃, have been determined using an atmospheric pressure gas-liquid chromatograph. The excess molar enthalpies and the excess molar volumes have been measured at 298.15 K for systems involving the bicyclic compounds decahydronaphthalene (decalin), 1,2,3,4-tetrahydronaphthalene (tetralin), bicyclohexyl, or cyclohexylbenzene mixed with 1- hexene, 1-hexyne, 1-heptene, 1-heptyne, cyclohexene, 1,3-cyclohexadiene, 1,4- cyclohexadiene, or benzene. These excess properties have also been measured for systems where the bicyclic compound has been replaced with benzene, cyclohexane or n-hexane. The results show defmite trends related to the size, shape, and the degree of unsaturation of the component molecules. The Flory theory has been used to predict excess molar enthalpies and excess molar volumes for {(a bicyclic compound or benzene or cyclohexane or n-hexane) +(an n-alkane or a 1-alkene or a 1-alkyne or a cycloalkane or cyclohexene or a cycloalkadiene or benzene)}. The one parameter equations offer reasonably good correlations between the predicted and the experimental results. More insight into the origins of the contnbutions to the excess thermodynamic properties for these systems has been gained by considering the approximate equations of Patterson and co-workers, which separate the interactional and the free volume contributions to the excess molar enthalpy and the excess molar volume. The one parameter equations have adequately rationalized a good deal of the observed behaviour for HEm and VEm. The theory of Liebermann and co-workers, which does not employ any adjustable parameters, has not been as successful at predicting the excess thermodynamic properties for the above systems. The activity coefficients at infinite dilution have been measured at 278.15 K, 288.15 K and 298.15 K for n-bexane, 1-bexene, 1-hexyne, n-heptane, 1-heptene, 1-heptyne, cyclohexane, cyclohexene, 1,3-cyclohexadiene, 1,4-cyclohexadiene, and benzene, in decalin, tetralin, bicyclohexyl, and cyclohexylbenzene. Solvent losses from the column have been accounted for by an extrapolation procedure. The activity coefficient results together with the HEm and VEm values have been used to calculate the partial molar excess thermodynamic properties of mixing at infinite dilution. The partial molar excess properties at infinite dilution for decalin mixtures are similar to those for bicyclohexyl mixtures. There is also a similarity between the properties of the tetralin mixtures and the cyclohexylbenzene mixtures. The cycloalkadienes, benzene and the 1-alkynes exhibit a strong dissociation effect on being mixed with the saturated solvents, decalin and bicyclohexyl, but associate strongly with tetralin and with cyclohexylbenzene. The Flory theory bas been used to predict activity coefficients at infinite dilution from the experimentally determined HEm results for { (n-bexane or 1-hexene or 1-hexyne or naheptane or 1-heptene or 1-beptyne) + (a bicyclic compound)}. The theory is much better at predicting values for mixtures where both components are either saturated molecules or are unsaturated molecules than for {saturated + unsaturated} mixtures.

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Zhou, Qing-Hua. "Study on reverse osmosis membrane separation of binary organic liquid mixtures." Thesis, University of Ottawa (Canada), 1990. http://hdl.handle.net/10393/5810.

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There is an increasing interest for the separation of organic liquid mixtures with reverse osmosis primarily due to its great promise in industrial applications. Based on Surface Force-Pore Flow model (SFPF) developed by Matsuura and Sourirajan, the study was conducted with the aid of a computer program, for the separation of organic liquid mixtures by reverse osmosis for the purpose of design and prediction of membrane performance. The results show that for a given separation system the pore size on the membrane surface and the interaction force between the membrane material and solute are two important factors which govern the effectiveness of the membrane separation of organic liquid mixtures.

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D’Agostino, Carmine, Geoff D. Moggridge, Lynn F. Gladden, and Mick D. Mantl. "Prediction of mutual diffusion coefficients in non-ideal binary mixtures from PFG-NMR diffusion measurements." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-184023.

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D’Agostino, Carmine, Geoff D. Moggridge, Lynn F. Gladden, and Mick D. Mantl. "Prediction of mutual diffusion coefficients in non-ideal binary mixtures from PFG-NMR diffusion measurements." Diffusion fundamentals 20 (2013) 109, S. 1-2, 2013. https://ul.qucosa.de/id/qucosa%3A13698.

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Chen, Qu, Joshua D. Moore, Ying-Chun Liu, Thomas R. Roussel, Qi Wang, and Keith E. Gubbins. "Bimodal diffusion of binary Lennard Jones mixtures in atomically detailed single-walled carbon nanotubes." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-189445.

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Zhao, Qi, Shaji Chempath, and Randall Q. Snurr. "Determining binary diffusion coefficients for mixtures in zeolites from PFG NMR, MD simulation, and theory: Determining binary diffusion coefficients for mixtures in zeolitesfrom PFG NMR, MD simulation, and theory." Diffusion fundamentals 2 (2005) 41, S. 1-2, 2005. https://ul.qucosa.de/id/qucosa%3A14371.

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Kriesten, Ernesto. "Model-based spectroscopic analysis of diffusion in liquid multicomponent mixtures /." Düsseldorf : VDI-Verl, 2009. http://d-nb.info/995156298/04.

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Zhao, Qi, Shaji Chempath, and Randall Q. Snurr. "Determining binary diffusion coefficients for mixtures in zeolites from PFG NMR, MD simulation, and theory." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-195699.

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32

Abusleme, Julio A. "Measurements, models and simulations in mixtures : thermodynamics of aminealcohol binary systems." Thesis, McGill University, 1987. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=75760.

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The major aim of this thesis has been to contribute to the understanding of the CH$ sb2$/OH/NH$ sb2$ group interactions by means of studies of alcohol-amine mixtures in the gas and liquid phases.
To study these interactions in the gas phase a Burnett type equipment was designed, built and operated at low pressure, obtaining experimental pressure-temperature (P-T) data for various systems including alcohol-amylamine mixtures. The P-T data were reduced by a method developed in this work to give values of second virial coefficients. Measurements on known systems were in excellent agreement with values reported in the literature. A group contribution method for predicting pure compounds and interaction second virial coefficients is presented. This method is equal, or superior to methods already available.
To study the CH$ sb2$/OH/NH$ sb2$ group interactions in the liquid phase, vapor-liquid-equilibrium (VLE) experiments with alcohol-amylamine mixtures were carried out in a Van Ness type apparatus. The raw data were reduced by a novel model free method using the second virial coefficients obtained previously for these mixtures. A group contribution method for predicting vapor-liquid-equilibria of multicomponent multigroup mixtures is proposed. Excellent predictions are obtained with this method.
Finally, computer experiments of Lennard-Jones fluid mixtures were carried out to help in the understanding of the local composition concept. This concept is of fundamental importance not only in the models used in this work but also in numerous other solution models.

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Chen, Qu, Joshua D. Moore, Ying-Chun Liu, Thomas R. Roussel, Qi Wang, and Keith E. Gubbins. "Bimodal diffusion of binary Lennard Jones mixtures in atomically detailed single-walled carbon nanotubes." Diffsuion fundamentals 11 (2009) 22, S. 1, 2009. https://ul.qucosa.de/id/qucosa%3A13961.

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Ventura, Stephanie A. "Dynamics of Glycerin and Water Transport Across Human Skin from Binary Mixtures." University of Cincinnati / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1459529370.

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35

Botero, Cristina, Heiko Kremer, Andreas P. Fröba, and Alfred Leipertz. "Particle diffusion coefficient and dynamic viscosity in non-ideal liquid mixtures by dynamic light scattering." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-196233.

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36

Clements, Patricia J. "Critical point behaviour in binary and ternary liquid mixtures with particular reference to rheological and interfacial properties in model mixtures for microemulsions." Thesis, University of Sheffield, 1997. http://etheses.whiterose.ac.uk/10187/.

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The phase behaviour, rheological effects and interfacial properties of binary and ternary liquid mixtures have been studied near critical points. In particular, measurements have been made of the viscosity-at the bulk macroscopic level by capillary viscometry and at the microscopic level by fluorescence depolarisatiorr-and of critical-point wetting and adsorptiorr-at the solid-liquid interface using evanescent-wave-generated fluorescence spectroscopy and at the liquid-vapour interface using specular neutron reflection. The systems investigated have been mostly alkane + perfluoroalkane mixtures or 2-butoxyethanol + H20 or D20 mixtures, although in some cases hexamethyldisiloxane, propanenitrile and perfluorooctyloctane have also been the components of mixtures. The main outcomes of this study are: • Macroscopic viscosity: The divergence to infinity in the shear viscosity of hexane + perfluorohexane at the critical endpoint for approach along the path of constant critical composition both from the single phase and along both limbs of the coexistence curve is described well using the Renormalisation Group Theory critical exponent y = 0.04. The correlation length amplitude obtained by fitting the sheargradient dependence of the viscosity is ~o = (S.S±l.S) A. • Microscopic viscosity: The product of the rotational correlation time and the temperature 'tR"T, often taken as a measure of the microscopic viscosity, exhibits an anomaly as the critical point is approached as a function of temperature. This anomaly mirrors that in the macroscopic viscosity for some fluorescent dye probes, but for others the anomaly is in the opposite sense indicating that other effects such as solvent structure must playa part in the near-critical behaviour of'tR·T. • Critical-point wetting at the solid-liquid interface: The wetting transition temperature has been identified for heptane + perfluorohexane at the quartz-liquid interface from fluorescence lifetime measurements of a probe. The wetting layer is of the same composition as the bulk heptane-rich phase and the transition is tentatively identified as first-order. • Adsorption and wetting at the liquid-vapour interface: The surface structure of several mixtures has been determined by neutron reflection. The results are in general agreement with the expectations of critical-point wetting and adsorption. The surface is complex and in some mixtures an oscillatory scattering length density profile through the interface is required to model the reflectivity data. • Ternary mixtures: The phase behaviour of three mixtures exhibiting tunnel phase behaviour has been studied experimentally and various characteristics of the shape of the twmel identified. A theoretical study on one of the mixtures predicts the drop in temperature for the locus of maximum phase separation temperatures which is observed experimentally.

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37

Grice, Sarah Jane. "Predicting the phase equilibria of associating and reacting systems." Thesis, University of Sheffield, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.310786.

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38

Barker, Simon William. "Diffusion induced liquid film migration in the aluminum-copper system /." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape11/PQDD_0001/NQ42721.pdf.

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39

Pascual, Marc. "Etude hydrodynamique des mélanges binaires thermosensibles." Thesis, Université Paris sciences et lettres, 2020. http://www.theses.fr/2020UPSLS009.

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La nanofluidique marque l'émergence de nouvelles technologies prometteuses pour la production d'énergies bleues. Ces énergies renouvelables à faible impact environnemental exploitent l'entropie de mélange de l'eau douce et l'eau salée, par exemple à l'estuaire d'un fleuve, pour générer de l'électricité. La diffusio-osmose (écoulement associé au déplacement diffusiophorétique) est un candidat sérieux pour la génération de courants électriques. Ce phénomène prend naissance à l'intérieur même des nanopores d’une membrane, et son intensité est directement liée à la charge de surface du matériau. Les mélanges binaires thermosensibles eau-liquide ionique sont une alternative aux fleuves et océans pour générer un gradient salin. L'état monophasique ou biphasique du mélange est contrôlé par la température; dans le cas présent la nature LCST du fluide induit une démixtion par chauffage.Nos travaux se concentrent sur la séparation de phase du mélange en cavité microfluidique, où nous montrons qu'un gradient de confinement ou de température sont une aide précieuse pour isoler sélectivement les deux phases. Nous mesurons également l'intensité des courants diffusio-osmotiques avec ces solutions de liquides ioniques dans des nanopores uniques et des membranes multipores
Nanofluidics marks the emergence of promising new technologies for the production of blue energies. These renewable energies with low environmental impact harness the entropy of mixing of fresh and salt water, for example at the estuary of a river, to generate electricity. Diffusio-osmosis (which flow is associated with diffusiophoretic displacement) is a serious candidate for the generation of electric currents. This phenomenon stems from osmotic effects inside the nanopores of the membrane and its intensity is directly linked to the surface charge of the material. Waterionic liquid thermoresponsive binary mixtures are an alternative to rivers and oceans to generate a salt gradient. The monophasic or biphasic state of the mixture is controlled by temperature; in the present case the LCST nature of the fluid induces a demixing by heating. Our work focuses on the phase separation of the mixture in a microfluidic cavity, where we show that a confinement or temperature gradient is a precious help to selectively isolate the two phases. We also measure the intensity of diffusio-osmotic currents with these solutions of ionic liquids in single nanopores and multi-pore membranes

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Botero, Cristina, Heiko Kremer, Andreas P. Fröba, and Alfred Leipertz. "Particle diffusion coefficient and dynamic viscosity in non-ideal liquid mixtures by dynamic light scattering." Diffusion fundamentals 2 (2005) 67, S. 1-2, 2005. https://ul.qucosa.de/id/qucosa%3A14401.

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41

Gamero, Rafael. "Mass transfer during isothermal drying of a porous solid containing multicomponent liquid mixtures." Licentiate thesis, KTH, Chemical Engineering and Technology, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-1748.

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Mass transfer in a porous solid, partially saturated with asingle solvent and multicomponent liquid mixtures, has beenexperimentally and theoretically studied. A porous materialcontaining single liquids and mixtures of organic solvents wasisothermally dried. Experiments were performed using a jacketedwind tunnel, through which a humidity andtemperature-controlled air stream flowed. The wetted porousmaterial was placed in a cylindrical vessel, whose top isexposed to the air stream until the material became dried to acertain extent. Drying experiments with the single solventswater, methanol, ethanol and 2-propanol, were performed atdifferent temperatures and transient liquid content profileswere determined. In isothermal drying experiments with liquidmixtures,the transient concentration profiles of thecomponents along the cylindrical sample as well as the totalliquid content were determined. The liquid mixtures examinedwere water-methanolethanol and isopropanol-methanol-ethanol.Two different temperatures and initial compositions were usedin the experiments. Mathematical models that describe nonsteadystate isothermal drying of a solid containing single liquidsand multicomponent liquid mixtures were developed. In the solidwetted with a single liquid, capillary movement of the liquidwas the main mechanism responsible for mass transfer. In thesolid containing liquid mixtures, interactive diffusion inliquid phase was superimposed to the capillary movement of theliquid mixture. In addition, interactive diffusion of thevapours in empty pores was considered. The parameters todescribe the retention properties of the solid and thecapillary movement of the liquid were determined by comparingtheoretical and experimental liquid content profiles obtainedduring drying of the solid wetted with single liquids. Tosimulate the transport of the liquid mixtures these parameterswhere weighed according to liquid composition. A fairly goodagreement between theoretical and experimental liquidcomposition profiles was obtained if axial dispersion isincluded in the model when the moisture consists of amixture.

Keywords:Internal mass transfer, capillary flow,multicomponent, diffusion, solvent mixtures

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42

Brown, Matthew D. "Verification of universal surface scaling behavior in critical binary liquid mixtures with neutron and x-ray reflectometry." Diss., Kansas State University, 2007. http://hdl.handle.net/2097/320.

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Doctor of Philosophy
Department of Physics
Bruce M. Law
We have studied two critical binary liquid mixtures in the mixed phase regime with x-ray and neutron reflectometry to verify universal critical scaling at a non-critical interface. We compared our results with previous results obtained with ellipsometry. At a solid-liquid or liquid-vapor interface of an AB binary liquid mixture the component with the lower surface tension will dominate that interface. If the surface tension differential between the components of the mixture is large enough the composition of the surface layer will loose its dependence on. This case is referred to as strong adsorption. We study the case of strong adsorption for a binary liquid mixture at the critical composition with respect to the demixing phase transition. Sufficiently close to the critical temperature Tc the influence of bulk critical behavior is expected to dominate the way the surface adsorption layer decays with depth z from the surface composition to the bulk composition. The length scale of the decay profile is expected to be proportional to the composition correlation length, and is expected to scale with a universal composition scaling function. In a neutron reflectometry study of a critical mixture of D2O and 3-methylpyridine against a quartz substrate we verify universal critical scaling using a scaling function previously used to describe ellipsometry data. In an x-ray reflectometry study of the liquid-vapor interface of a critical mixture of n-dodecane and 1,1,2,2 tetrabromoethane, which had previously been studied with ellipsometry, we find that we are able to describe all data by using the same scaling function provided that we account for non-critical, system dependent surface structure as well. We are also able to simulate ellipsometry with our mathematical profile model and compare the simulation to the previous ellipsometry data.

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43

Gamero, Rafael. "Transport Coefficients during Drying of Solids containing Multicomponent Mixtures." Doctoral thesis, KTH, Teknisk strömningslära, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-28897.

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This study investigated the transport coefficients involved in mass and heat transfer during the drying of a porous solid partially saturated with multicomponent mixtures. It included the coefficients governing liquid transport through the solid, the matrix of multicomponent diffusion coefficients in the liquid phase, and the effective thermal conductivity. As it is not possible to determine these coefficients by theoretical considerations alone and considerable experimental work is required to determine them in a broad range of process conditions, the principle of this study has been the use of mathematical models complemented with some empirical parameters. These empirical parameters were determined by comparison between measurements in specially designed experiments and the results of mathematical models that describe the process. In addition, the application of the multicomponent diffusion coefficients is described in two cases where liquid diffusion is important: convective evaporation of a multicomponent stationary liquid film and a falling film. To study liquid transport through the solid, isothermal drying experiments were performed to determine the transient composition profiles and total liquid content of sand samples wetted with ternary liquid mixtures with different initial compositions and temperatures. A mathematical model including mass transfer by capillary movement of the liquid and interactive diffusion in both the gas and liquid phases was developed. To simulate the capillary movement of liquid mixtures, parameters experimentally determined for single liquids were weighed according to liquid composition. A fairly good agreement between theoretical and experimental liquid composition profiles was obtained considering that axial dispersion was included in the model. To study the matrix of multicomponent diffusion coefficients in the liquid phase, the redistribution of liquid composition in a partially filled tube exposed to a longitudinal temperature gradient was analysed. Experimental work was carried out using two main ternary mixtures with different initial compositions and temperature gradients. Experimental data were compared with the results of a theoretical model that describes the steady-state liquid composition distribution in a partially filled non-isothermal tube to find the empirical exponent that modifies the matrix of thermodynamic factors. Correlations for the exponents as a function of temperature were determined for each particular multicomponent mixture. The effective thermal conductivity of a porous solid containing multicomponent liquid mixtures was studied by measuring the liquid composition, liquid content and temperature distributions in a cylindrical sample dried by convection from the open upper side and heated by contact with a hot source at the bottom side. Simulations performed at a quasi steady state were compared with experiments to estimate the adjusting geometric parameter of Krischer’s model for effective thermal conductivity, which includes the contribution of the evaporation-diffusion-condensation mechanism. The results revealed that a resistance corresponding to a parallel arrangement between the phases seems to dominate in this case. In the study of the convective drying of a multicomponent stationary liquid film, the equations describing interactive mass transfer were decoupled by a similarity transformation and solved simultaneously with a conduction equation by the method of variable separation. Variations of physical properties along the process trajectory were taken into account by a stepwise application of the solution in time intervals with averaged coefficients from previous time steps. Despite simplifications, the analytical solution gives a good insight into the selectivity of the drying process and is computationally fast. On the other hand, numerical simulations of the convective evaporation of the multicomponent falling liquid film into an inert gas with a co-current flow arrangement of the phases almost always revealed a transition from liquid-phase-controlled conditions to a process in which neither the gas nor the liquid completely controls the evaporation. The results obtained in this work would be useful in implementing models to improve the design, process exploration and optimisation of dryers by incorporating the solid-side effects to describe the drying of liquid mixtures along the whole process.
QC 20110124

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44

Almásy, László. "Structure and dynamics in binary mixtures with limited miscibility : investigation of aqueous solutions of methyl-substituted pyridines." Paris 6, 2002. http://www.theses.fr/2002PA066506.

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45

Thapa, Nabin K. "Characterizing Liquid-Fluid Interfaces Using Surface Light Scattering Spectroscopy." Kent State University / OhioLINK, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=kent1564059703319064.

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46

Klein, Tobias, Wenchang Wu, Manuel Kerscher, Michael H. Rausch, Cédric Giraudet, Thomas M. Koller, and Andreas P. Fröba. "Fick diffusion coefficients in binary liquid mixtures of n-alkanes or 1-alcohols with dissolved gases investigated by molecular dynamics simulations and dynamic light scattering." 2019. https://ul.qucosa.de/id/qucosa%3A72424.

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47

Kindler, Kolja. "On Soret Convection in Binary and Pseudo-Binary Liquid Mixtures." Doctoral thesis, 2007. http://hdl.handle.net/11858/00-1735-0000-000D-F164-3.

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48

Ji, Wong-wing, and 紀婉韻. "Isobaric Vapor-Liquid Equilibrium for Binary Mixtures Containing Propionates." Thesis, 2006. http://ndltd.ncl.edu.tw/handle/y9q67h.

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碩士
國立臺灣科技大學
化學工程系
94
Isobaric vapor-liquid phase equilibrium (VLE) data were measured for the binary systems of methyl propionate + methyl acetate, propionic acid + methyl propionate, propionic acid + methyl acetate, acetic acid + methyl propionate, and isopropyl propionate + isopropanol at 760 mmHg. All the binary VLE data passed the thermodynamic consistency test. While the system of isopropyl propionate + isopropanol exhibited negative deviation, the other four binary systems showed positive deviation. The VLE data were correlated with the Wilson, the NRTL, and the UNIQUAC models combining with ideal gas assumption or the two-term virial equation here the second virial coefficients were estimated from the Hayden–O’ Connell (HOC) or the Nothnagel (NTH) method. For the binary systems without containing organic acids, the correlated results were almost the same by using different vapor-fugacity calculation models. However, the correlated results were much better while the association effect in the vapor phase was considered for the systems containing organic acids. Regardless of the activity coefficient models to be used, estimation of the second virial coefficient from the HOC method is better for propionic acid + methyl propionate, propionic acid + methyl acetate and acetic acid + methyl propionate.

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49

Fernandes, José Abílio Barreiro. "Diffusion measurements in liquid mixtures by Raman spectroscopy." Dissertação, 2009. http://hdl.handle.net/10216/60441.

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50

Fernandes, José Abílio Barreiro. "Diffusion measurements in liquid mixtures by Raman spectroscopy." Master's thesis, 2009. http://hdl.handle.net/10216/60441.

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