Along-the-channel modeling and analysis of PEFCs at low stoichiometry: Development of a 1+2D model

Water management remains a key challenge in polymer-electrolyte fuel cells. In this work, a pseudo 3-D (1+2D) model is developed to account better for changes of water management along the channel, as well as verify the possibilities of using differential cells for data capture and translation to integral cell performance. An accurate 2-D membrane-electrode-assembly model is developed for differential cell modeling, which is combined with an along-the-channel stepping algorithm to account for down the channel changes in pressure, temperature, reactant concentration, and relative humidity. Variations in cell performance along the channel due to changes in operating conditions are characterized quantitatively and optimized, where drier feed conditions demonstratively require such an approach. Overall, the study identifies gaps between differential and integral cells including those related to flow velocity and highlights the need for better models to understand and link integral cell performance and water management

PEARL model for pesticide behaviour and emissions in soil-plant systems : description of the processes in FOCUS PEARL v 1.1.1

The use of pesticides in agriculture presents risks to the environment, which are increasingly evaluated by using computation models. The new PEARL model simulates the behaviour of pesticides in soil-plant systems and their emissions to the environment. The pesticide model is used in combination with the hydrological model SWAP. Various agricultural situations and ways of applying the pesticides can be simulated. The model accounts for different sorption mechanisms, in equilibrium and non-equilibriumdomains of the soil. Pesticide transport in the liquid and gas phases is described by the convection-dispersion-diffusion type equation, which is supplemented with sink terms. Comprehensive reaction schemes are processed in matrix form. The rate in first-order transformation kinetics is dependent on temperature, soil moisture content and depth in the soil. Besides computing persistence and distribution of the pesticidal compounds in soil, the model computes volatilization into the air, lateral drainage to water courses and leaching to groundwater

Modeling the effect of soil meso- and macropores topology on the biodegradation of a soluble carbon substrate

Soil structure and interactions between biotic and abiotic processes are increasingly recognized as important for explaining the large uncertainties in the outputs of macroscopic SOM decomposition models. We present a numerical analysis to assess the role of meso- and macropore topology on the biodegradation of a soluble carbon substrate in variably water saturated and pure diffusion conditions . Our analysis was built as a complete factorial design and used a new 3D pore-scale model, LBioS, that couples a diffusion Lattice-Boltzmann model and a compartmental biodegradation model. The scenarios combined contrasted modalities of four factors: meso- and macropore space geometry, water saturation, bacterial distribution and physiology. A global sensitivity analysis of these factors highlighted the role of physical factors in the biodegradation kinetics of our scenarios. Bacteria location explained 28% of the total variance in substrate concentration in all scenarios, while the interactions among location, saturation and geometry explained up to 51% of it

How mucilage affects water flow in soils

Die Wurzelwasseraufnahme aus dem Boden wird durch die Rhizosphäre beeinflusst. Die Rhizosphäre ist eine dünne Bodenschicht, die sich um Wurzeln herum bildet. Die Rhizosphäre wird durch Mucilage beeinflusst. Mucilage ist ein polymeres Gel, was von Wurzeln abgesondert wird und vor allem die hydraulischen Eigenschaften der Rhizosphäre verändert. Wenn es im Kontakt mit Wasser ist, kann Mucilage große Mengen an Wasser aufnehmen, aber wenn es trocken ist, wird seine Oberfläche hydrophob. Hier konzentrieren wir uns auf den Effekt von Mucilage auf die hydraulischen Eigenschaften des Bodens. Zunächst präsentieren wir experimentelle und numerische Studien, die die hydraulischen Prozesse in der Rhizosphäre nach der Bewässerung von trockenem Boden beschreiben. Bei Mucilagekonzentrationen, die niedriger als ein gewisser Schwellwert waren, konnte Wasser durch die Rhizosphärenschicht fließen, über dieser Konzentration wurde die Schicht wasserundurchlässig während der ersten Minuten bis zu Stunden nach Bewässerung. Wir präsentieren eine analytische Abschätzung der Mucilagekonzentration an der Perkolationsschwelle als Funktion von mittlerer Teilchengröße und Bodenwasserpotential nach Bewässerung. Die Abschätzung wurde an Hand von Experimenten des kapillaren Aufstiegs in Bodensäulen validiert. Wir entwickelten ein effektives Model um zu beschreiben, wir Mucilage die hydraulischen Funktionen des Bodens verändert: (a) Quell- und Trocknungsprozesse von Mucilage resultieren in Nicht-Gleichgewichtsdynamiken zwischen Wassergehalt und Wasserpotential, (b) die Präsenz von Mucilage im Boden reduziert das Wasserpotential bei einem gegebenen Wassergehalt und (c) Mucilage ist viskos und reduziert dadurch die hydraulische Leitfähigkeit des Bodens bei einem gegebenen Wassergehalt. In Experimenten mit Boden-Mucilage-Mischungen testeten wir das Model und wandten es an, um Beobachtungen von früheren Experimenten mit echten Pflanzen zu simulieren, die veränderte hydraulische Dynamiken in der Rhizophäre zeigen. Im Anhang dieser Arbeit sind zwei Studien zur Wärmeausbreitung von Erdkabeln. Hier können hydraulische Dynamiken autreten, die dem radialen Wasserfluss zu einer einzelnen Wurzel ähneln

A model for reactive porous transport during re-wetting of hardened concrete

A mathematical model is developed that captures the transport of liquid water in hardened concrete, as well as the chemical reactions that occur between the imbibed water and the residual calcium silicate compounds residing in the porous concrete matrix. The main hypothesis in this model is that the reaction product -- calcium silicate hydrate gel -- clogs the pores within the concrete thereby hindering water transport. Numerical simulations are employed to determine the sensitivity of the model solution to changes in various physical parameters, and compare to experimental results available in the literature.Comment: 30 page

Recent Developments and Applications of the HYDRUS Computer Software Packages

The HYDRUS-1D and HYDRUS (2D/3D) computer software packages are widely used finite-element models for simulating the one- and two- or three-dimensional movement of water, heat, and multiple solutes in variably saturated media, respectively. In 2008, Šimůnek et al. (2008b) described the entire history of the development of the various HYDRUS programs and related models and tools such as STANMOD, RETC, ROSETTA, UNSODA, UNSATCHEM, HP1, and others. The objective of this manuscript is to review selected capabilities of HYDRUS that have been implemented since 2008. Our review is not limited to listing additional processes that were implemented in the standard computational modules, but also describes many new standard and nonstandard specialized add-on modules that significantly expanded the capabilities of the two software packages. We also review additional capabilities that have been incorporated into the graphical user interface (GUI) that supports the use of HYDRUS (2D/3D). Another objective of this manuscript is to review selected applications of the HYDRUS models such as evaluation of various irrigation schemes, evaluation of the effects of plant water uptake on groundwater recharge, assessing the transport of particle-like substances in the subsurface, and using the models in conjunction with various geophysical methods

Estimating flow and transport parameters in the unsaturated zone with pore water stable isotopes

The first author was funded by the DFG Research Group: From Catchments as Organised Systems to Models based on Functional Units (FOR 1598). The second author was funded by the DFG project Coupled soil-plant water dynamics – Environmental drivers and species effects (contract numbers: GE 1090/10-1 and WE 4598/2-1). The isotope data in the precipitation for Roodt were provided by FNR/CORE/SOWAT, project of the Luxembourg Institute of Science and Technology – LIST. Sampling of the isotope profiles was made possible by the support of the CAOS Team and Begona Lorente Sistiaga, Benjamin Gralher, Andre Böker, Marvin Reich and Andrea Popp. Special thanks to Britta Kattenstroth and Jean Francois Iffly for their technical support in the field and Barbara Herbstritt for her support in the laboratory. For Roodt, soil texture and hydraulic parameter information were provided by Conrad Jackisch and Christoph Messer (KIT, Karlsruhe, Germany) and hydraulic conductivity data were provided by Christophe Hissler and Jérôme Juilleret (LIST). Pore water isotope and soil moisture data for Hartheim were provided by Steffen Holzkämper and Paul Königer. Temperature and precipitation data for Hartheim were provided by the Chair of Meteorology and Climatology, University of Freiburg.Peer reviewedPublisher PD

Performance of solid desiccants for fixed-bed regenerator applications

Fixed-bed regenerators (FBRs) are a relatively novel type of energy recovery ventilator (ERV) used to reduce energy consumption in buildings. FBRs operate under cyclical conditions by storing heat and moisture in one recovery period and transferring the accumulated heat and moisture to an air stream in the next period. FBRs are very promising for heat recovery but are yet to be fully adapted for moisture transfer on a commercial scale. In order to enable moisture transfer, adsorptive materials known as desiccants can be coated on FBR plates for energy recovery. The primary goal of this thesis is to apply experimental and numerical methods to select desiccants for FBRs. Desiccants remove moisture by an adsorption process as opposed to absorption where molecules penetrate a bulk media. The sorption properties of the desiccant directly influence the latent effectiveness of FBRs during summer operation. The experimental results in this thesis showed that sorption kinetics is an important parameter for FBRs. A numerical model which includes the sorption kinetics was used to predict the dynamic behaviour of FBRs. The numerical results showed that selecting desiccants with a higher kinetic rate constant value leads to higher moisture transfer rates which in turn will increase the effectiveness of FBRs. The main contribution of this thesis is that the results enable researchers to determine the recovery periods and parameters when sorption kinetics can be neglected, and an equilibrium model is acceptable for FBR applications. The results showed that a 5% relative error in latent effectiveness was achieved in the equilibrium model for a rate constant of at least 0.0014 1/s, thicknesses of up to 25 mm, effective diffusion coefficient of at least 2.9 × 10-5 m2/s, and cycle periods of at least 60 s

Innovative Adsorption Heat Exchangers for Desiccant Cooling and Atmospheric Water Harvesting

L'abstract è presente nell'allegato / the abstract is in the attachmen