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Rolando Castillo - One of the best experts on this subject based on the ideXlab platform.
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the thermal diffusion factor of the van der waals Binary Mixture
Journal of Chemical Physics, 1997Co-Authors: Rolando Castillo, Jorge Luis OrozcoAbstract:The explicit dependence of the thermal diffusion factor with respect to composition and interaction parameters for the van der Waals Binary Mixture is obtained in the framework of the mean-field kinetic variational theory and in the scheme of Scott and van Konynenburg. Here, we present a numerical study where the global behavior of the thermal diffusion factor is described in terms of molecular masses, sizes, and interaction parameters, along the phase diagram of this model Mixture. This numerical study allows us to understand what molecular parameters modify the sign of the thermal diffusion factor. In addition, a comparison is made between the thermal diffusion factor coming from the van der Waals Mixture and from the hard-sphere Mixture.
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The mutual diffusion coefficient for the van der Waals Binary Mixture of type I
The Journal of Chemical Physics, 1993Co-Authors: Rolando Castillo, Cristina Garza, H. DominguezAbstract:In the framework of the mean‐field kinetic variational theory, the explicit dependence of the mutual diffusion coefficient of the van der Waals Binary Mixture with composition and interaction parameters is obtained. The different kinds of behavior shown by this coefficient can be classified according to the scheme of van Konynenburg and Scott devised to describe the global phase diagram of this model Mixture. A numerical study to understand the concentration dependence of the mutual diffusion coefficients for Mixtures of type I is presented here, in terms of molecular masses, sizes, and interaction parameters. Moreover, the behavior of the mutual diffusion coefficient of the van der Waals Mixture is compared with that of a hard‐sphere Mixture. In addition, a comparison is made between our calculations and experimental data of Binary systems classified as belonging to type I: H2O/D2O, hexane/heptane, toluene/hexane, and benzene/hexane. From the explicit model presented here, one can obtain semiquantitative...
H. Dominguez - One of the best experts on this subject based on the ideXlab platform.
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The mutual diffusion coefficient for the van der Waals Binary Mixture of type I
The Journal of Chemical Physics, 1993Co-Authors: Rolando Castillo, Cristina Garza, H. DominguezAbstract:In the framework of the mean‐field kinetic variational theory, the explicit dependence of the mutual diffusion coefficient of the van der Waals Binary Mixture with composition and interaction parameters is obtained. The different kinds of behavior shown by this coefficient can be classified according to the scheme of van Konynenburg and Scott devised to describe the global phase diagram of this model Mixture. A numerical study to understand the concentration dependence of the mutual diffusion coefficients for Mixtures of type I is presented here, in terms of molecular masses, sizes, and interaction parameters. Moreover, the behavior of the mutual diffusion coefficient of the van der Waals Mixture is compared with that of a hard‐sphere Mixture. In addition, a comparison is made between our calculations and experimental data of Binary systems classified as belonging to type I: H2O/D2O, hexane/heptane, toluene/hexane, and benzene/hexane. From the explicit model presented here, one can obtain semiquantitative...
Jorge Luis Orozco - One of the best experts on this subject based on the ideXlab platform.
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the thermal diffusion factor of the van der waals Binary Mixture
Journal of Chemical Physics, 1997Co-Authors: Rolando Castillo, Jorge Luis OrozcoAbstract:The explicit dependence of the thermal diffusion factor with respect to composition and interaction parameters for the van der Waals Binary Mixture is obtained in the framework of the mean-field kinetic variational theory and in the scheme of Scott and van Konynenburg. Here, we present a numerical study where the global behavior of the thermal diffusion factor is described in terms of molecular masses, sizes, and interaction parameters, along the phase diagram of this model Mixture. This numerical study allows us to understand what molecular parameters modify the sign of the thermal diffusion factor. In addition, a comparison is made between the thermal diffusion factor coming from the van der Waals Mixture and from the hard-sphere Mixture.
Biman Bagchi - One of the best experts on this subject based on the ideXlab platform.
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three stage phase separation kinetics in a model liquid Binary Mixture a computational study
Journal of Chemical Physics, 2019Co-Authors: Milan K Hazra, Sarmistha Sarkar, Biman BagchiAbstract:We study microscopic aspects of initial phase separation through atomistic molecular dynamics simulation of a structure breaking liquid Binary Mixture. We find that the phase separation kinetics in a fluid Binary Mixture model system can indeed be unusual. It can be fast, with a crossover from a pronounced exponential to non-exponential and non-linear dynamics. An important outcome of this work is the quantification of time scales involved in phase separation kinetics at an early stage. The initial exponential phase separation is complete within ∼100 ps. The initial phase separation involves aggregation of small droplets that form rapidly after the quench. This is followed by segregation that gives rise to pattern formation with multiple bands of segregated species. During this initial phase, a particle is found to have moved only about ∼5 molecular diameters. The next stage is slower and characterized by break-up and disappearance of small islands of species trapped inside the domains of other species of the Binary Mixture. The phase separation in this second stage is highly non-exponential and power-law-like. We identify a new feature in the very late stage of phase separation kinetics that seems to have eluded previous attention, the smoothing of the rugged interface between the two species. This is opposite to the roughening transition one finds on the surface of solids in contact with its vapor phase. The present atomistic simulation provides a molecular picture in terms of molecular motions and displacements.We study microscopic aspects of initial phase separation through atomistic molecular dynamics simulation of a structure breaking liquid Binary Mixture. We find that the phase separation kinetics in a fluid Binary Mixture model system can indeed be unusual. It can be fast, with a crossover from a pronounced exponential to non-exponential and non-linear dynamics. An important outcome of this work is the quantification of time scales involved in phase separation kinetics at an early stage. The initial exponential phase separation is complete within ∼100 ps. The initial phase separation involves aggregation of small droplets that form rapidly after the quench. This is followed by segregation that gives rise to pattern formation with multiple bands of segregated species. During this initial phase, a particle is found to have moved only about ∼5 molecular diameters. The next stage is slower and characterized by break-up and disappearance of small islands of species trapped inside the domains of other species of...
Inderjeet Kaur - One of the best experts on this subject based on the ideXlab platform.
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gamma radiation induced grafting of Binary Mixture of methacrylic acid and 4 vinyl pyridine onto teflon fep film as an effective polar membrane for separation processes
Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms, 2010Co-Authors: Inderjeet Kaur, Sunita Rattan, Sandeep Chauhan, Nitika GuptaAbstract:Abstract Ionic bifunctional membranes have been synthesized by grafting Binary Mixture of methacrylic acid (MAAc) and 4-vinyl pyridine (4-VP) onto Teflon-FEP film by pre-irradiation method. Optimum conditions pertaining to maximum percentage of grafting were evaluated as a function of different reaction parameters. Maximum percentage of grafting of Binary Mixture (MAAc-co-4-VP) (71.29%) was obtained at an optimum total dose of 54.48 kGy and the total concentration was 9.49 mol/L ([4-VP] = 0.07 mol/L and [MAAc ] = 9.42 mol/L) in 5 ml of water. The effect of alcohols as additives to the reaction medium on percent grafting of the Binary Mixture has also been studied. The membranes were characterized by FTIR spectroscopy, scanning electron microscopy and thermogravimetric analysis. Swelling studies of the membranes were performed in different solvents such as water, benzene, carbon tetrachloride and dimethyl formamide (DMF). Maximum swelling was observed in DMF with minimum swelling in benzene. Metal ion (Cu2+, Ni2+ and Fe2+) uptake studies show better affinity for Fe2+ ions. Conductance measurements in different aqueous salt solution showed that these membranes have affinity for Na+/K+ ions and Cl− ions and hence can be used in desalination/separation processes for the separation of both type of cationic and anionic ions.
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radiation induced graft copolymerization of vinyl monomers and their Binary Mixture onto rayon fibre
Journal of Applied Polymer Science, 2008Co-Authors: Sunita Rattan, B N Misra, Jaya Maitra, Inderjeet KaurAbstract:Ethyl acrylate (EA), Vinyl imidazole (VI), and their Binary Mixture have been copolymerized onto rayon in aqueous medium by mutual method using γ-radiation. The graft yield has been determined as a function of different reaction parameters such as total dose, concentration of vinyl monomers, and amount of water. Effect of surfactant (1-octane sulfonic acid, sodium salt) has been studied on the percentage of grafting of EA, VI, and (EA + VI). A plausible mechanism has been suggested to explain the observed behavior of the surfactant on grafting. Water retention and moisture regain of the grafted film was determined at appropriate relative humidity. The graft copolymers have been characterized by IR spectroscopy and scanning electron microscopic methods. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
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graft copolymerization of a Binary Mixture of methyl acrylate and acrylamide onto polyamide films by the mutual method
Polymers & Polymer Composites, 1998Co-Authors: Inderjeet Kaur, B N Misra, Anita Gupta, S Marina, P B BurmanAbstract:Graft copolymerization onto polyamide-6,6 film has been studied by grafting a Binary Mixture of methyl acrylate and acrylamide using gamma rays from a 60 Co source as initiator by the mutual method in an aqueous medium. The effect of total dose, concentration of monomer, and amount of water on the percentage grafting (Pg) has been determined. The effect of alcohols of varying chain length on the Pg of the Binary Mixture has been studied. They all decreased it. However, the mixed solvent system (H 2 O + alcohol) at certain compositions was found to enhance it. A plausible mechanism for the graft copolymerization of the Binary Mixture (methyl acrylate + acrylamide) onto polyamide film by the mutual method has been proposed.
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graft copolymerization of acrylonitrile and its Binary Mixture with 4 vinyl pyridine onto isotactic polypropylene powder by preirradiation method
Journal of Applied Polymer Science, 1995Co-Authors: Inderjeet Kaur, Raghuvir Barsola, B N MisraAbstract:Graft copolymerization of acrylonitrile (AN) and its Binary Mixture with 4-vinyl pyridine (4-VP) onto isotactic polypropylene powder in aqueous medium, using γ-rays as an initiator, was studied. Optimum conditions for affording maximum percentage of grafting were evaluated. Rate of grafting (Rg) of AN and Binary Mixture (4-VP + AN) was determined as a function of total initial monomer concentrations. The graft copolymers were characterized by IR spectroscopy and thermogravimetric analysis. © 1995 John Wiley & Sons, Inc.
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radiochemical graft copolymerization of methacrylonitrile and Binary Mixture of methacrylonitrile with 4 vinylpyridine onto isotactic polypropylene fiber
Journal of Applied Polymer Science, 1994Co-Authors: Inderjeet Kaur, Raghuvir Barsola, B N MisraAbstract:Graft copolymerization of methacrylonitrile (MAN) and its Binary Mixture with 4-vinylpyridine (4-VP) onto isotactic polypropylene (IPP) fiber has been studied in aqueous medium by the preirradiation method. Optimum conditions for obtaining the maximum percentage of grafting have been evaluated. Rate of grafting (Rg) has been determined as a function of total initial monomer concentration. The graft copolymers are characterized by IR spectroscopy, by thermogravimetric analysis, and by isolating the polymer from the graft copolymer. The effect of MAN, an acceptor monomer, on percentage of grafting of 4-VP, a donor monomer, has been discussed in the light of the mechanism proposed for grafting by the radiochemical method. © 1994 John Wiley & Sons, Inc.