Publications

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This document summarizes a three year Laboratory Directed Research and Development (LDRD) program effort to improve our understanding of algal flocculation with a key to overcoming harvesting as a techno-economic barrier to algal biofuels. Flocculation is limited by the concentrations of deprotonated functional groups on the algal cell surface. Favorable charged groups on the surfaces of precipitates that form in solution and the interaction of both with ions in the water can favor flocculation. Measurements of algae cell-surface functional groups are reported and related to the quantity of flocculant required. Deprotonation of surface groups and complexation of surface groups with ions from the growth media are predicted in the context of PHREEQC. The understanding of surface chemistry is linked to boundaries of effective flocculation. We show that the phase-space of effective flocculation can be expanded by more frequent alga-alga or floc-floc collisions. The collision frequency is dependent on the floc structure, described in the fractal sense. The fractal floc structure is shown to depend on the rate of shear mixing. We present both experimental measurements of the floc structure variation and simulations using LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). Both show a densification of the flocs with increasing shear. The LAMMPS results show a combined change in the fractal dimension and a change in the coordination number leading to stronger flocs.

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This project was designed to advance the art of process intensification leading to a new generation of multifunctional chemical reactors. Experimental testing was performed in order to fully characterize the hydrodynamic operating regimes critical to process intensification and implementation in commercial applications. Physics of the heat and mass transfer and chemical kinetics and how these processes are ultimately scaled were investigated. Specifically, we progressed the knowledge and tools required to scale a multifunctional reactor for acid-catalyzed C4 paraffin/olefin alkylation to industrial dimensions. Understanding such process intensification strategies is crucial to improving the energy efficiency and profitability of multifunctional reactors, resulting in a projected energy savings of 100 trillion BTU/yr by 2020 and a substantial reduction in the accompanying emissions.

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A multifunctional reactor is a chemical engineering device that exploits enhanced heat and mass transfer to promote production of a desired chemical, combining more than one unit operation in a single system. The main component of the reactor system under study here is a vertical column containing packing material through which liquid(s) and gas flow cocurrently downward. Under certain conditions, a range of hydrodynamic regimes can be achieved within the column that can either enhance or inhibit a desired chemical reaction. To study such reactors in a controlled laboratory environment, two experimental facilities were constructed at Sandia National Laboratories. One experiment, referred to as the Two-Phase Experiment, operates with two phases (air and water). The second experiment, referred to as the Three-Phase Experiment, operates with three phases (immiscible organic liquid and aqueous liquid, and nitrogen). This report describes the motivation, design, construction, operational hazards, and operation of the both of these experiments. Data and conclusions are included.

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Imported oil exacerabates our trade deficit and funds anti-American regimes. Nuclear Energy (NE) is a demonstrated technology with high efficiency. NE's two biggest political detriments are possible accidents and nuclear waste disposal. For NE policy, proliferation is the biggest obstacle. Nuclear waste can be reduced through reprocessing, where fuel rods are separated into various streams, some of which can be reused in reactors. Current process developed in the 1950s is dirty and expensive, U/Pu separation is the most critical. Fuel rods are sheared and dissolved in acid to extract fissile material in a centrifugal contactor. Plants have many contacts in series with other separations. We have taken a science and simulation-based approach to develop a modern reprocessing plant. Models of reprocessing plants are needed to support nuclear materials accountancy, nonproliferation, plant design, and plant scale-up.

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An experimental study was performed to determine the fraction of the heat flux that is due to radiation (sometimes referred to as radiation partitioning of the total heat flux measurement) to a calorimeter engulfed in a large methanol pool fire to improve understanding and develop high-quality data for the validation of fire models. Diagnostics employed include Coherent Anti-Stokes Raman Spectroscopy (CARS), Particle Image Velocimetry (PIV), total and radiative thermometry, and thermocouples. Data are presented not only for the physics measurements but also for all initial and boundary conditions required as necessary inputs to computational models. The large physical scale, the experimental design (enhanced convection relative to radiation heat transfer), the use of independent measurement techniques, and the attention to data quality, provide a unique dataset that emphasizes the convective component to support numerical fire model validation for convective and radiative heat transfer in fires. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

This report summarizes the experimental and modeling effort undertaken to understand solute mixing in a water distribution network conducted during the last year of a 3-year project. The experimental effort involves measurement of extent of mixing within different configurations of pipe networks, measurement of dynamic mixing in a single mixing tank, and measurement of dynamic solute mixing in a combined network-tank configuration. High resolution analysis of turbulence mixing is carried out via high speed photography as well as 3D finite-volume based Large Eddy Simulation turbulence models. Macroscopic mixing rules based on flow momentum balance are also explored, and in some cases, implemented in EPANET. A new version EPANET code was developed to yield better mixing predictions. The impact of a storage tank on pipe mixing in a combined pipe-tank network during diurnal fill-and-drain cycles is assessed. Preliminary comparison between dynamic pilot data and EPANET-BAM is also reported.