6533b821fe1ef96bd127b8d7

RESEARCH PRODUCT

Integral relations, a simplified method to find interfacial resistivities for heat and mass transfer.

Signe KjelstrupDick BedeauxJean-marc SimonJialin Ge

subject

Statistics and ProbabilityPhysicsPhase transitionWork (thermodynamics)CondensationEnthalpyThermodynamics02 engineering and technologyCondensed Matter Physics01 natural sciences[PHYS.PHYS.PHYS-CHEM-PH] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph][CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryMolecular dynamicsSpline (mathematics)[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]Thermal conductivity020401 chemical engineeringMass transfer0103 physical sciences[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]0204 chemical engineering010306 general physicsComputingMilieux_MISCELLANEOUS

description

International audience; Integral relations were used to predict interface film transfer coefficients for evaporation and condensation. According to these, all coefficients can be calculated for one-component systems, using the thermal resistivity and the enthalpy profile through the interface. The expressions were verified in earlier work using non-equilibrium molecular dynamics simulations for argon-like particles, which interacted with a short-range Lennard-Jones (LJ) spline potential, which becomes zero at about 1.7 times the LJ-diameter. In this paper we verify the validity of these relations for a long-range LJ spline potential which becomes zero at 2.5 times the diameter. In an earlier paper we have documented for this system that in particular the absolute heat of transfer becomes much larger than the value predicted by kinetic theory. This was not the case for the short-range potential. The findings are important for modelling of one-component phase transitions.

https://hal.archives-ouvertes.fr/hal-00467570