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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Reducing agricultural water use in arid regions while maintaining or improving economic productivity of the agriculture sector is a major challenge. Controlled environment agriculture (CEA, or, greenhouse agriculture) affords advantages in direct resource use (less land and water required) and productivity (i.e., much higher product yield and quality per unit of resources used) relative to conventional open-field practices. These advantages come at the price of higher operating complexity and costs per acre. The challenge is to implement and apply CEA such that the productivity and resource use advantages will sufficiently outweigh the higher operating costs to provide for overall benefit and viability. This project undertook an investigation of CEA for livestock forage production as a water-saving alternative to open-field forage production in arid regions. Forage production is a large consumer of fresh water in many arid regions of the world, including the southwestern U.S. and northern Mexico. With increasing competition among uses (agriculture, municipalities, industry, recreation, ecosystems, etc.) for limited fresh water supplies, agricultural practice alternatives that can potentially maintain or enhance productivity while reducing water use warrant consideration. The project established a pilot forage production greenhouse facility in southern New Mexico based on a relatively modest and passive (no active heating or cooling) system design pioneered in Chihuahua, Mexico. Experimental operations were initiated in August 2004 and carried over into early-FY05 to collect data and make initial assessments of operational and technical system performance, assess forage nutrition content and suitability for livestock, identify areas needing improvement, and make initial assessment of overall feasibility. The effort was supported through the joint leveraging of late-start FY04 LDRD funds and bundled CY2004 project funding from the New Mexico Small Business Technical Assistance program at Sandia. Despite lack of optimization with the project system, initial results show the dramatic water savings potential of hydroponic forage production compared with traditional irrigated open field practice. This project produced forage using only about 4.5% of the water required for equivalent open field production. Improved operation could bring water use to 2% or less. The hydroponic forage production system and process used in this project are labor intensive and not optimized for minimum water usage. Freshly harvested hydroponic forage has high moisture content that dilutes its nutritional value by requiring that livestock consume more of it to get the same nutritional content as conventional forage. In most other aspects the nutritional content compares well on a dry weight equivalent basis with other conventional forage. More work is needed to further explore and quantify the opportunities, limitations, and viability of this technique for broader use. Collection of greenhouse environmental data in this project was uniquely facilitated through the implementation and use of a self-organizing, wirelessly networked, multi-modal sensor system array with remote cell phone data link capability. Applications of wirelessly networked sensing with improved modeling/simulation and other Sandia technologies (e.g., advanced sensing and control, embedded reasoning, modeling and simulation, materials, robotics, etc.) can potentially contribute to significant improvement across a broad range of CEA applications.

This report summarizes the results obtained from a Laboratory Directed Research & Development (LDRD) project entitled 'Investigation of Potential Applications of Self-Assembled Nanostructured Materials in Nuclear Waste Management'. The objectives of this project are to (1) provide a mechanistic understanding of the control of nanometer-scale structures on the ion sorption capability of materials and (2) develop appropriate engineering approaches to improving material properties based on such an understanding.

An optical sensor system has been developed for the autonomous monitoring of NO{sub 2} evolution in energetic material aging studies. The system is minimally invasive, requiring only the presence of a small sensor film within the aging chamber. The sensor material is a perylene/PMMA film that is excited by a blue LED light source and the fluorescence detected with a CCD spectrometer. Detection of NO{sub 2} gas is done remotely through the glass window of the aging chamber. Irreversible reaction of NO{sub 2} with perylene, producing the non-fluorescent nitroperylene, provides the optical sensing scheme. The rate of fluorescence intensity loss over time can be modeled using a numerical solution to the coupled diffusion and a nonlinear chemical reaction problem to evaluate NO{sub 2} concentration levels. The light source, spectrometer, spectral acquisition, and data processing were controlled through a Labivew program run by a laptop PC. Due to the long times involved with materials aging studies the system was designed to turn on, warm up, acquire data, power itself off, then recycle at a specific time interval. This allowed the monitoring of aging HE material over the period of several weeks with minimal power consumption and stable LED light output. Despite inherent problems with gas leakage of the aging chamber they were able to test the sensor system in the field under an accelerated aging study of rocket propellant. They found that the propellant evolved NO{sub 2} at a rate that yielded a concentration of between 10 and 100 ppm. The sensor system further revealed that the propellant, over an aging period of 25 days, evolves NO{sub 2} with cyclic behavior between active and dormant periods.

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