Der thermische Akkommodationskoeffizient α spielt als Teil der effektiven Wärmeleitfähigkeit von hochporösen Dämmstoffen (basierend auf SiO2 oder CaSiO3) eine nicht zu unterschätzende Rolle beim Wärmetransport. In vorhandenen Modellen zur Bestimmung der effektiven Wärmeleitfähigkeit wird er häufig, jedoch nicht bewiesen mit α = 1 für Gase wie Argon oder Stickstoff bzw. α = 0,3 für Helium angenommen. Daher war es das Ziel dieser Arbeit, jene Annahme zu überprüfen als auch erstmalig α an CaSiO3 zu bestimmen. Dazu wurde eine eigens entwickelte Versuchsapparatur ähnlich einer Guarded-Hot-Plate aufgebaut und umfangreich mit Literaturdaten kalibriert. Die bisher allgemein gültige Annahme konnte für beide Materialien mit Argon, Stickstoff und Helium experimentell verifiziert und damit die Gültigkeit vorhandener Modelle zur Bestimmung der effektiven Wärmeleitfähigkeit unterstrichen werden. Parallel dazu wurde kooperativ eine Molekulardynamik Simulation durchgeführt, wodurch die Messergebnisse ebenfalls bestätigt werden konnten.

The fast-paced growth in microelectromechanical systems (MEMS), microfluidic fabrication, porous media applications, biomedical assemblies, space propulsion, and vacuum technology demands accurate and practical transport equations for rarefied gas flows. It is well-known that in rarefied situations, due to strong deviations from the continuum regime, traditional fluid models such as Navier-Stokes-Fourier (NSF) fail. The shortcoming of continuum models is rooted in nonequilibrium behavior of gas particles in miniaturized and/or low-pressure devices, where the Knudsen number (Kn) is sufficiently large. Since kinetic solutions are computationally very expensive, there has been a great desire to develop macroscopic transport equations for dilute gas flows, and as a result, several sets of extended equations are proposed for gas flow in nonequilibrium states. However, applications of many of these extended equations are limited due to their instabilities and/or the absence of suitable boundary conditions. In this work, we concentrate on regularized 13-moment (R13) equations, which are a set of macroscopic transport equations for flows in the transition regime, i.e., Kn≤1. The R13 system provides a stable set of equations in Super-Burnett order, with a great potential to be a powerful CFD tool for rarefied flow simulations at moderate Knudsen numbers. The goal of this research is to implement the R13 equations for problems of practical interest in arbitrary geometries. This is done by transformation of the R13 equations and boundary conditions into general curvilinear coordinate systems. Next steps include adaptation of the transformed equations in order to solve some of the popular test cases, i.e., shear-driven, force-driven, and temperature-driven flows in both planar and curved flow passages. It is shown that inexpensive analytical solutions of the R13 equations for the considered problems are comparable to expensive numerical solutions of the Boltzmann equation. The new results present a wide range of linear and nonlinear rarefaction effects which alter the classical flow patterns both in the bulk and near boundary regions. Among these, multiple Knudsen boundary layers (mechanocaloric heat flows) and their influence on mass and energy transfer must be highlighted. Furthermore, the phenomenon of temperature dip and Knudsen paradox in Poiseuille flow; Onsager's reciprocity relation, two-way flow pattern, and thermomolecular pressure difference in simultaneous Poiseuille and transpiration flows are described theoretically. Through comparisons it is shown that for Knudsen numbers up to 0.5 the compact R13 solutions exhibit a good agreement with expensive solutions of the Boltzmann equation.

Cette thèse met en évidence différents effets géométriques intervenant dans des phénomènes de mouillage. La première partie est dédiée à l'élaboration d'un modèle d'interactions dans le liquide permettant de déterminer, à partir de la géométrie de l'interface, la distribution des forces capillaires à l'échelle moléculaire. Nous proposons dans ce cadre une interprétation de la construction d'Young en tant qu'équilibre des forces dans un coin de liquide. Ce modèle est ensuite appliqué dans la deuxième partie à diverses situations mettant en jeu la capillarité aux échelles moléculaires. La tension de ligne est étudiée grâce à des simulations de dynamique moléculaire et une interprétation géométrique du phénomène est présentée. L'existence d'un film de prémouillage est prédite lors de la saturation du phénomène d'électromouillage. Ce modèle fait en outre ressortir une distribution des forces tout à fait particulière dans un solide au voisinage de la ligne de contact, dont les effets ne sont visibles que lorsque le substrat est déformable. Ainsi, une confirmation expérimentale de l'existence d'une pression de Laplace supplémentaire lorsqu'un solide est immergé est apportée. Nous étudions ensuite l'influence de la mouillabilité du liquide sur le fléchissement et le flambage d'une plaque élastique sous l'effet de cette distribution de forces capillaires. Pour finir, la transition de démouillage dynamique par entraînement d'air est examinée, et nous mettons en évidence le rôle crucial de la dissipation dans l'écoulement de l'air lorsque celui-ci est entraîné et confiné sous le liquide.

Due to failure of the continuum hypothesis for higher Knudsen numbers, rarefied gases and microflows of gases are particularly difficult to model. Macroscopic transport equations compete with particle methods, such as the direct simulation Monte Carlo method (DSMC) to find accurate solutions in the rarefied gas regime. Due to growing interest in micro flow applications, such as micro fuel cells, it is important to model and understand evaporation in this flow regime. To gain a better understanding of evaporation physics, a non-steady simulation for slow evaporation in a microscopic system, based on the Navier-Stokes-Fourier equations, is conducted. The one-dimensional problem consists of a liquid and vapor layer (both pure water) with respective heights of 0.1mm and a corresponding Knudsen number of Kn=0.01, where vapor is pumped out. The simulation allows for calculation of the evaporation rate within both the transient process and in steady state. The main contribution of this work is the derivation of new evaporation boundary conditions for the R13 equations, which are macroscopic transport equations with proven applicability in the transition regime. The approach for deriving the boundary conditions is based on an entropy balance, which is integrated around the liquid-vapor interface. The new equations utilize Onsager relations, linear relations between thermodynamic fluxes and forces, with constant coefficients that need to be determined. For this, the boundary conditions are fitted to DSMC data and compared to other R13 boundary conditions from kinetic theory and Navier-Stokes-Fourier solutions for two steady-state, one-dimensional problems. Overall, the suggested fittings of the new phenomenological boundary conditions show better agreement to DSMC than the alternative kinetic theory evaporation boundary conditions for R13. Furthermore, the new evaporation boundary conditions for R13 are implemented in a code for the numerical solution of complex, two-dimensional geometries and compared to Navier-Stokes-Fourier (NSF) solutions. Different flow patterns between R13 and NSF for higher Knudsen numbers are observed which suggest continuation of this work. / Graduate