Stuttgart, Univ., Diss., 2006.

Universiẗat, Diss., 1999--Dortmund. / Dateiformat: PDF.

Techn. Universiẗat, Diss., 2003--Darmstadt.

University, Diss., 2004--Bonn.

Es wurde ein neues Zweifluidmodell entwickelt, um Nichtgleichgewichtseffekte in kritischen und nahkritischen Ein-komponenten-Zweiphasenströmungen von anfänglich unter-kühlten oder siedenden Fluiden durch Rohre und Düsen zu untersuchen. Das vorgeschlagene Sechs-Gleichungsmodell besteht aus den phasenbezogenen Erhaltungsgleichungen für Masse und Impuls, der Bilanzgleichung für die thermische Energie der flüssigen Phase sowie einer zusätzlichen Transport-gleichung für die volumetrische Blasenanzahl. Zur Lösung des Systems aus partiellen Differentialgleichungen wird ein semi-implizites Finite-Differenzen-Zeitschrittverfahren angewendet. Die Schließung des Gleichungssystems wird durch Einbindung thermodynamischer Beziehungen und konstitutiver Gleichungen, die den strömungsformabhängigen Impuls-, Wärme- und Stofftransport beschreiben, erreicht. Für Strömungssysteme mit spontaner Entspannungsverdampfung aus dem rein flüssigen Zustand (Flashing) werden verschiedene Keimbildungsmodelle eingesetzt, die den Anfangszustand der verzögerten Dampfbildung beschreiben. Auf diese Weise werden thermodynamische Nichtgleichgewichtszustände als Folge von Zuständen mit für die Aktivierung von Keimstellen benötigtem Energieüberschuß, eingeschränkt vorhandener Phasengrenzfläche sowie begrenzter Wärmeübertragung zwischen den Phasen betrachtet. Abweichungen vom fluid-dynamischen Gleichgewicht (Phasenschlupf) ergeben sich aufgrund unterschiedlicher Trägheitseigenschaften und verschieden stark ausgeprägter mechanischer Kopplung zwischen den Phasen. Die mit diesem Modell erhaltenen numerischen Ergebnisse stimmen gut mit experimentellen Werten für Zweiphasen-strömungen mit unterschiedlichen Eintrittsbedingungen und Kanalgeometrien überein. / A new two-fluid flow model has been developed in order to examine non-equilibrium effects in critical and near-critical one-component two-phase flows of initially subcooled or saturated fluids through pipes and nozzles. The six-equation model proposed consists of the phasic conservation equations of mass and momentum, the liquid thermal energy, and of an additional transport equation for the bubble number density. To solve for the unknowns of the system of partial differential equations, a semi-implicit finite difference time-marching method is utilized. The closure of the set of equations is accomplished by thermodynamic relationships and additional constitutive equations describing momentum transport, interphase heat, and mass transfer which account for different flow regimes. For fluid flow systems undergoing a sudden change of phase from the pure liquid state (flashing), distinct nucleation models are included to describe the initial state of delayed vapor generation. In this way thermal non-equilibrium states are considered to be the consequence of excessive energy states required to activate nucleation sites, of restricted interfacial area and limited heat transfer between the phases. Deviation from fluid-dynamic equilibrium (phasic slip) results from different inertial properties and from distinct strength of mechanical coupling between the phases. The numerical results obtained with this model agree quite well with experimental data for two-phase flows with various inlet conditions and channel geometries.

A fundamental challenge is to understand nonequilibrium statistical mechanics starting from microscopic chaos in the equations of motion of a many-particle system. In this thesis we summarize recent theoretical advances along these lines. We focus on two different approaches to nonequilibrium transport: One considers Hamiltonian dynamical systems under nonequilibrium boundary conditions, another one suggests a non-Hamiltonian approach to nonequilibrium situations created by external electric fields and by temperature or velocity gradients. A surprising result related to the former approach is that in simple low-dimensional periodic models the deterministic transport coefficients are typically fractal functions of control parameters. These fractal transport coefficients yield the first central theme of this thesis. We exemplify this phenomenon by deterministic diffusion in a simple chaotic map. We then construct an arsenal of analytical and numerical methods for computing further transport coefficients such as electrical conductivities andchemical reaction rates. These methods are applied to hierarchies of chaotic dynamical systems that are successively getting more complex, starting from abstract one-dimensional maps generalizing a simple random walk on the line up to particle billiards that should be directly accessible in experiments. In all cases, the resulting transport coefficients turn out to be either strictly fractal, or at least to be profoundly irregular. The impact of random perturbations on these quantities is also investigated. We furthermore provide some access roads towards a physical understanding of these fractalities. The second central theme is formed by a critical assessment of the non-Hamiltonian approach to nonequilibrium transport. Here we consider situations where the nonequilibrium constraints pump energy into a system, hence there must be some thermal reservoir that prevents the system from heating up. For this purpose a deterministic and time-reversible modeling of thermal reservoirs was proposed in form of Gaussian and Nose-Hoover thermostats. This approach yielded simple relations between fundamental quantities of nonequilibrium statistical mechanics and of dynamical systems theory. Our goal is to critically assesses the universality of these results. As a vehicle of demonstration we employ the driven periodic Lorentz gas, a toy model for the classical dynamics of an electron in a metal under application of an electric field. Applying different types of thermal reservoirs to this system we compare the resulting nonequilibrium steady states with each other. Along the same lines we discuss an interacting many-particle system under shear and heat. Finally, we outline an unexpected relationship between deterministic thermostats and active Brownian particles modeling biophysical cell motility.

A fundamental challenge is to understand nonequilibrium statistical mechanics starting from microscopic chaos in the equations of motion of a many-particle system. In this thesis we summarize recent theoretical advances along these lines. We focus on two different approaches to nonequilibrium transport: One considers Hamiltonian dynamical systems under nonequilibrium boundary conditions, another one suggests a non-Hamiltonian approach to nonequilibrium situations created by external electric fields and by temperature or velocity gradients. A surprising result related to the former approach is that in simple low-dimensional periodic models the deterministic transport coefficients are typically fractal functions of control parameters. These fractal transport coefficients yield the first central theme of this thesis. We exemplify this phenomenon by deterministic diffusion in a simple chaotic map. We then construct an arsenal of analytical and numerical methods for computing further transport coefficients such as electrical conductivities andchemical reaction rates. These methods are applied to hierarchies of chaotic dynamical systems that are successively getting more complex, starting from abstract one-dimensional maps generalizing a simple random walk on the line up to particle billiards that should be directly accessible in experiments. In all cases, the resulting transport coefficients turn out to be either strictly fractal, or at least to be profoundly irregular. The impact of random perturbations on these quantities is also investigated. We furthermore provide some access roads towards a physical understanding of these fractalities. The second central theme is formed by a critical assessment of the non-Hamiltonian approach to nonequilibrium transport. Here we consider situations where the nonequilibrium constraints pump energy into a system, hence there must be some thermal reservoir that prevents the system from heating up. For this purpose a deterministic and time-reversible modeling of thermal reservoirs was proposed in form of Gaussian and Nose-Hoover thermostats. This approach yielded simple relations between fundamental quantities of nonequilibrium statistical mechanics and of dynamical systems theory. Our goal is to critically assesses the universality of these results. As a vehicle of demonstration we employ the driven periodic Lorentz gas, a toy model for the classical dynamics of an electron in a metal under application of an electric field. Applying different types of thermal reservoirs to this system we compare the resulting nonequilibrium steady states with each other. Along the same lines we discuss an interacting many-particle system under shear and heat. Finally, we outline an unexpected relationship between deterministic thermostats and active Brownian particles modeling biophysical cell motility.

Es wurde ein neues Zweifluidmodell entwickelt, um Nichtgleichgewichtseffekte in kritischen und nahkritischen Ein-komponenten-Zweiphasenströmungen von anfänglich unter-kühlten oder siedenden Fluiden durch Rohre und Düsen zu untersuchen. Das vorgeschlagene Sechs-Gleichungsmodell besteht aus den phasenbezogenen Erhaltungsgleichungen für Masse und Impuls, der Bilanzgleichung für die thermische Energie der flüssigen Phase sowie einer zusätzlichen Transport-gleichung für die volumetrische Blasenanzahl. Zur Lösung des Systems aus partiellen Differentialgleichungen wird ein semi-implizites Finite-Differenzen-Zeitschrittverfahren angewendet. Die Schließung des Gleichungssystems wird durch Einbindung thermodynamischer Beziehungen und konstitutiver Gleichungen, die den strömungsformabhängigen Impuls-, Wärme- und Stofftransport beschreiben, erreicht. Für Strömungssysteme mit spontaner Entspannungsverdampfung aus dem rein flüssigen Zustand (Flashing) werden verschiedene Keimbildungsmodelle eingesetzt, die den Anfangszustand der verzögerten Dampfbildung beschreiben. Auf diese Weise werden thermodynamische Nichtgleichgewichtszustände als Folge von Zuständen mit für die Aktivierung von Keimstellen benötigtem Energieüberschuß, eingeschränkt vorhandener Phasengrenzfläche sowie begrenzter Wärmeübertragung zwischen den Phasen betrachtet. Abweichungen vom fluid-dynamischen Gleichgewicht (Phasenschlupf) ergeben sich aufgrund unterschiedlicher Trägheitseigenschaften und verschieden stark ausgeprägter mechanischer Kopplung zwischen den Phasen. Die mit diesem Modell erhaltenen numerischen Ergebnisse stimmen gut mit experimentellen Werten für Zweiphasen-strömungen mit unterschiedlichen Eintrittsbedingungen und Kanalgeometrien überein. / A new two-fluid flow model has been developed in order to examine non-equilibrium effects in critical and near-critical one-component two-phase flows of initially subcooled or saturated fluids through pipes and nozzles. The six-equation model proposed consists of the phasic conservation equations of mass and momentum, the liquid thermal energy, and of an additional transport equation for the bubble number density. To solve for the unknowns of the system of partial differential equations, a semi-implicit finite difference time-marching method is utilized. The closure of the set of equations is accomplished by thermodynamic relationships and additional constitutive equations describing momentum transport, interphase heat, and mass transfer which account for different flow regimes. For fluid flow systems undergoing a sudden change of phase from the pure liquid state (flashing), distinct nucleation models are included to describe the initial state of delayed vapor generation. In this way thermal non-equilibrium states are considered to be the consequence of excessive energy states required to activate nucleation sites, of restricted interfacial area and limited heat transfer between the phases. Deviation from fluid-dynamic equilibrium (phasic slip) results from different inertial properties and from distinct strength of mechanical coupling between the phases. The numerical results obtained with this model agree quite well with experimental data for two-phase flows with various inlet conditions and channel geometries.

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