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Calibri 83ffff̙̙3f3fff3f3f33333f33333.0TU Delft Repositoryg r/uuidrepository linktitleauthorcontributorpublication yearabstract
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departmentresearch group programmeprojectcoordinates)uuid:44d57fe55ea148c28b98d6311d2124b6Dhttp://resolver.tudelft.nl/uuid:44d57fe55ea148c28b98d6311d2124b6/The role of temperature in nucleation processes+Ter Horst, J.H.; Bedeaux, D.; Kjelstrup, S.Heat and mass transfers are coupled processes, also in nucleation. In principle, a nucleating cluster would have a different temperature compared to the surrounding supersaturated old phase because of the heat release involved with attaching molecules to the cluster. In turn a difference in temperature across the cluster surface is a driving force for the mass transfer to and from the cluster. This coupling of forces in nonisothermal nucleation is described using mesoscopic nonequilibrium thermodynamics, emphasizing measurable heat effects. An expression was obtained for the nonisothermal nucleation rate in a onecomponent system, in the case where a temperature difference exists between a cluster distribution and the condensed phase. The temperature is chosen as a function of the cluster size only, while the temperature of the condensed phase is held constant by a bath. The generally accepted expression for isothermal stationary nucleation is contained as a limiting case of the nonisothermal stationary nucleation rate. The equations for heat and mass transport were solved for stationary nucleation with the given cluster distribution and with the temperature controlled at the boundaries. A factor was defined for these conditions, determined by the heat conductivity of the surrounding phase and the phase transition enthalpy, to predict the deviation between isothermal and nonisothermal nucleation. For the stationary state described, the factor appears to give small deviations, even for primary nucleation of droplets in vapor, making the nonisothermal rate smaller than the isothermal one. The set of equations may lead to larger and different thermal effects under different boundary conditions, however.kenthalpy; heat conduction; heat of transformation; liquidvapour transformations; mass transfer; nucleationenjournal articleAmerican Institute of Physics.Mechanical, Maritime and Materials EngineeringProcess and Energy)uuid:507dd58ca09040538d134bcfb719d25bDhttp://resolver.tudelft.nl/uuid:507dd58ca09040538d134bcfb719d25bcTransport of heat and mass in a twophase mixture: From a continuous to a discontinuous descriptionGlavatskiy, K.S.; Bedeaux, D.We present a theory that describes the transport properties of the interfacial region with respect to heat and mass transfer. Postulating the local Gibbs relation for a continuous description inside the interfacial region, we derive the description of the Gibbs surface in terms of excess densities and fluxes along the surface. We introduce overall interfacial resistances and conductances as the coefficients in the forceflux relations for the Gibbs surface. We derive relations between the local resistivities for the continuous description inside the interfacial region and the overall resistances of the surface for transport between the two phases for a mixture. It is shown that interfacial resistances depend among other things on the enthalpy profile across the interface. Since this variation is substantial, the coupling between heat and mass flow across the surface is also substantial. In particular, the surface puts up much more resistance to the heat and mass transfer than the homogeneous phases over a distance comparable to the thickness of the surface. This is the case not only for the pure heat conduction and diffusion but also for the cross effects such as thermal diffusion. For the excess fluxes along the surface and the corresponding thermodynamic forces, we derive expressions for excess conductances as integrals over the local conductivities along the surface. We also show that the curvatu<re of the surface affects only the overall resistances for transport across the surface and not the excess conductivities along the surface.Renthalpy; free energy; heat conduction; mass transfer; mixtures; thermal diffusion)uuid:050e9fee09b44561aaea6da6be44ef75Dhttp://resolver.tudelft.nl/uuid:050e9fee09b44561aaea6da6be44ef75UNonequilibrium thermodynamics of interfaces using classical density functional theory'Johannessen, E.; Gross, J.; Bedeaux, D.A vaporliquid interface introduces resistivities for mass and heat transfer. These resistivities have recently been determined from molecular simulations, as well as theoretically using the van der Waals square gradient model. This model, however, does not allow for direct quantitative comparison to experiment or results from molecular simulations. The classical density functional theory is used here in order to determine the equilibrium profiles of vaporliquid interfaces. Equilibrium profiles are sufficient in the framework of nonequilibrium thermodynamics for determining the interfacial resistivities. The interfacial resistivities for heat transfer, for mass transfer, and for the coupling of heat and mass transfer can all be related to only one local thermal resistivity. This is done with integral relations for the interfacial resistivities. All interfacial resistivities can be consistently described in their temperature behavior with good accuracy.density functional theory; heat transfer; interface phenomena; liquid theory; mass transfer; molecular dynamics method; nonequilibrium thermodynamics; thermal conductivity
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