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At least 883 records · Page 49

Foundations of Feature Selection and Classification for Non-Gaussian Distributed Targets

This report describes the author’s research toward creating algorithms for selecting useful statistical features in pattern/target classification problems in which the features are non-Gaussian distributed. In engineering practice, it is common to either (1) Not perform any feature selection procedure, or (2) Use a feature selection algorithm that assumes the features are Gaussian distributed. This process can be far from optimal if the data are actually non-Gaussian, as they frequently are in practice. This research has the goal of mitigating that problem by creating a useful algorithm that can be used in practice. The approach is to focus on the performance indices used in common feature selection algorithms, such as Branch and Bound algorithms and the Sequential Forward Selection Algorithm. Ordinarily, the performance index used to measure the class separation in feature space involves assuming the data are Gaussian and deriving tractable performance indices that use closed form equations that represent the probability density functions of the class data. The advantage of this approach is that it produces feature selection algorithms that have low computational complexity and do not require knowledge of the actual data densities. The disadvantage is that these algorithms may not perform reasonably when the data are non-Gaussian, as they commonly are in practice. This research examines the use of information-theoretic class separability measures that can deal with the non-Gaussian case. In particular, this work shows that the Hellinger Distance (a divergence measure), has very desirable mathematical properties and can be useful for feature selection. The work in this paper employs a multivariate kernel density estimator along with the Hellinger Distance and an optimal subset selection algorithm to do feature selection. This report (1) Defines the classification and feature selection problems, (2) Describes the continuous variable Hellinger distance in one dimension and discusses its mathematical properties in comparison with other distance measures, (3) Develops the discrete variable Hellinger distance expression for one and two dimensions, and shows that the discrete Hellinger distance for multiple dimensions is a straightforward extension, and (4) Presents experimental density estimation results using a new MATLAB implementation of a multivariate kernel density estimator. The draft of this report served as a starting point for Ensign Matthew Wilder’s MSEE thesis work at the Naval Postgraduate School (NPS) in 2010 and 2011. Ensign Wilder completed his thesis and graduated from NPS in June 2011 (M. J. Wilder, “Automatic Target Recognition: Statistical Feature Selection of Non-Gaussian Distributed Target Classes,” MSEE Thesis, Naval Postgraduate School, Thesis Advisor: Grace A. Clark, Second Reader: Monique P. Fargues, June 2011). In the thesis, Ensign Wilder created implementations of the Branch and Bound and Sequential Feature Selection algorithms, extended the multivariate kernel density estimator code, and evaluated the performance of Hellinger Distance-based feature selection algorithms using both simulated data and data from a real-world benchmark data set. The new algorithm was shown to be very effective for both Gaussian and non-Gaussian data sets. The advantages gained for non-Gaussian data come at the cost of increased computational complexity. Using a laptop computer for practical problems, we generally use initial feature vectors containing no more than about ten or twelve features. Proposed future research lies in creating faster kernel density estimator algorithms that would allow for the use of higher dimensional data.

42 ENGINEERING↗

Modeling and Design of Integrated Safeguards and Security for an Electrochemical Reprocessing Facility

Electrochemical reprocessing of spent nuclear fuel may be an alternative to aqueous processing and is considered more attractive for fast reactor fuel cycles. Molten salt processing of the fuel may simplify the number of processing steps, but the nuclear industry worldwide has much less operational experience with this technology, including safeguards and security. As interest in electrochemical processing grows in the U.S. and other countries, it is important to understand how to address materials accountancy and security in this unique environment. For this work, a model of a commercial-scale electrochemical plant was developed in Matlab Simulink for design and analysis of integrated safeguards and security systems. The model tracks the mass flow rates of the fuel and salt through the various unit operations and simulates materials accountancy, process monitoring measurements, and physical protection. These measurements are then used to calculate inventory balances during normal operation and diversion scenarios. The model analysis enables one to identify various strategies and options for safeguarding nuclear material, contingent upon the feasibility of the measurement technology. This paper describes the model development, measurement options and strategies, and performance under diversion scenarios.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Automated Thermal Image Processing for Detection and Classification of Birds and Bats (FY2012 Annual Report)

Surveying wildlife at risk from offshore wind energy development is difficult and expensive. Infrared video can be used to record birds and bats that pass through the camera view, but it is also time consuming and expensive to review video and determine what was recorded. We proposed to conduct algorithm and software development to identify and to differentiate thermally detected targets of interest that would allow automated processing of thermal image data to enumerate birds, bats, and insects. During FY2012 we developed computer code within MATLAB to identify objects recorded in video and extract attribute information that describes the objects recorded. We tested the efficiency of track identification using observer-based counts of tracks within segments of sample video. We examined object attributes, modeled the effects of random variability on attributes, and produced data smoothing techniques to limit random variation within attribute data. We also began drafting and testing methodology to identify objects recorded on video. We also recorded approximately 10 hours of infrared video of various marine birds, passerine birds, and bats near the Pacific Northwest National Laboratory (PNNL) Marine Sciences Laboratory (MSL) at Sequim, Washington. A total of 6 hours of bird video was captured overlooking Sequim Bay over a series of weeks. An additional 2 hours of video of birds was also captured during two weeks overlooking Dungeness Bay within the Strait of Juan de Fuca. Bats and passerine birds (swallows) were also recorded at dusk on the MSL campus during nine evenings. An observer noted the identity of objects viewed through the camera concurrently with recording. These video files will provide the information necessary to produce and test software developed during FY2013. The annotation will also form the basis for creation of a method to reliably identify recorded objects.

Bats↗

Developing Load Cell Monitoring on the Mock UF 6 Feed and Withdrawal System

A proof-of-concept load cell monitoring system has been developed for the Mock Feed and Withdrawal (F&W) System at Oak Ridge National Laboratory (ORNL). This system leverages industry-standard commercial off-the-shelf (COTS) hardware and software in a modular and scalable design. The Mock F&W System was designed to simulate operations at a uranium hexafluoride (UF 6 ) gas centrifuge enrichment plant F&W area. It provides a test bed for process-monitoring technologies. Water, used as a surrogate for UF 6 , is pumped from three feed tanks, through a process surge tank, and is then cut between two tails tanks and three product tanks. The weight of the each tank is continuously monitored using a load cell monitoring system. In addition to the F&W stations, large and small accountancy stations are monitored. The Mock F&W System allows ORNL to test and evaluate capabilities of industry-standard process monitoring hardware and software. A variety of commonly used weighing indicators are connected to the load cells to monitor the weight at each station. These weighing indicators are representative of the types likely found in operating facilities. A data center modeled after those currently used for international safeguards was installed to collect and manage the weight data. This data center provides a robust and flexible test bed for testing and developing software solutions. COTS software packages that leverage industry-standard communication protocols provide a data flow architecture that is modular, interoperable, and scalable. One software package provides communication drivers to collect the raw weight data from the weighing indicators. A data historian is used to store the raw data. Custom in-house algorithms have been developed using MATLAB to analyze the raw historical data and to automatically identify process information. This information includes the number of cycles completed and the mass of material transferred from stations to the process. The process information identified by the analysis is stored in a Microsoft SQL Server database. Visualization concepts have been developed that display the analyzed process information alongside visually compelling plots and animations of the raw data. The load cell monitoring system developed on the Mock F&W System was designed as a proof of concept that could be scaled to a field trial at an operating facility. This system, built with industry standard hardware and software, has allowed ORNL to develop capabilities that provide confidence in the ability to leverage existing operator load cell monitoring equipment with minimal impact on operations. The international safeguards community is evaluating the use of load cell monitoring as an additional safeguards measure; this system demonstrates a practical solution to collect, store, analyze, and visualize load cell weight data.

commercial off the shelf↗

User Interface Design and Development for the Enhanced Radiological Nuclear Inspection and Evaluation (ERNIE) Tool Internship Report

There are radioactive and nuclear threats that affect the security of the United States. The Enhanced Radiological Nuclear Inspection Evaluation project aims to develop better methods for finding these threats. The general user interface of ERNIE needs to efficiently and clearly display all the necessary information that is used to support the decision of the Customs and Border Patrol officers. The Vehicle Presence Sensors (VPS) are located in various entry points all around the nation to detect any nuclear or radiological threat. The main purpose of my job in the internship is to transform MATLAB code to Java, and to create and develop a general user interface (GUI) for ERNIE using Java as the main programming language. All the tasks will be performed in the Lawrence Livermore National Laboratory in Livermore, California.

97 MATHEMATICS AND COMPUTING↗

Center for Technology for Advanced Scientific Componet Software (TASCS)

The overall objective of Binghamton's involvement is to work on enhancements of the CCA environment, motivated by the applications and research initiatives discussed in the proposal. This year we are working on re-focusing our design and development efforts to develop proofof-concept implementations that have the potential to significantly impact scientific components. We worked on developing parallel implementations for non-hydrostatic code and worked on a model coupling interface for biogeochemical computations coded in MATLAB. We also worked on the design and implementation modules that will be required for the emerging MapReduce model to be effective for scientific applications. Finally, we focused on optimizing the processing of scientific datasets on multi-core processors.

97 MATHEMATICS AND COMPUTING↗

Incorporating Cold Cap Behavior in a Joule-heated Waste Glass Melter Model

In this paper, an overview of Joule-heated waste glass melters used in the vitrification of high level waste (HLW) is presented, with a focus on the cold cap region. This region, in which feed-to-glass conversion reactions occur, is critical in determining the melting properties of any given glass melter. An existing 1D computer model of the cold cap, implemented in MATLAB, is described in detail. This model is a standalone model that calculates cold cap properties based on boundary conditions at the top and bottom of the cold cap. Efforts to couple this cold cap model with a 3D STAR-CCM+ model of a Joule-heated melter are then described. The coupling is being implemented in ModelCenter, a software integration tool. The ultimate goal of this model is to guide the specification of melter parameters that optimize glass quality and production rate.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

GIS-and Web-based Water Resource Geospatial Infrastructure for Oil Shale Development

The Colorado School of Mines (CSM) was awarded a grant by the National Energy Technology Laboratory (NETL), Department of Energy (DOE) to conduct a research project en- titled GIS- and Web-based Water Resource Geospatial Infrastructure for Oil Shale Development in October of 2008. The ultimate goal of this research project is to develop a water resource geo-spatial infrastructure that serves as “baseline data” for creating solutions on water resource management and for supporting decisions making on oil shale resource development. The project came to the end on September 30, 2012. This final project report will report the key findings from the project activity, major accomplishments, and expected impacts of the research. At meantime, the gamma version (also known as Version 4.0) of the geodatabase as well as other various deliverables stored on digital storage media will be send to the program manager at NETL, DOE via express mail. The key findings from the project activity include the quantitative spatial and temporal distribution of the water resource throughout the Piceance Basin, water consumption with respect to oil shale production, and data gaps identified. Major accomplishments of this project include the creation of a relational geodatabase, automated data processing scripts (Matlab) for database link with surface water and geological model, ArcGIS Model for hydrogeologic data processing for groundwater model input, a 3D geological model, surface water/groundwater models, energy resource development systems model, as well as a web-based geo-spatial infrastructure for data exploration, visualization and dissemination. This research will have broad impacts of the devel- opment of the oil shale resources in the US. The geodatabase provides a “baseline” data for fur- ther study of the oil shale development and identification of further data collection needs. The 3D geological model provides better understanding through data interpolation and visualization techniques of the Piceance Basin structure spatial distribution of the oil shale resources. The sur- face water/groundwater models quantify the water shortage and better understanding the spatial distribution of the available water resources. The energy resource development systems model reveals the phase shift of water usage and the oil shale production, which will facilitate better planning for oil shale development. Detailed descriptions about the key findings from the project activity, major accomplishments, and expected impacts of the research will be given in the sec- tion of “ACCOMPLISHMENTS, RESULTS, AND DISCUSSION” of this report.

04 OIL SHALES AND TAR SANDS↗

Annual Report: Carbon Capture Simulation Initiative (CCSI) (30 September 2013)

The Carbon Capture Simulation Initiative (CCSI) is a partnership among national laboratories, industry and academic institutions that is developing and deploying state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technologies from discovery to development, demonstration, and ultimately the widespread deployment to hundreds of power plants. The CCSI Toolset will provide end users in industry with a comprehensive, integrated suite of scientifically validated models, with uncertainty quantification (UQ), optimization, risk analysis and decision making capabilities. The CCSI Toolset incorporates commercial and open-source software currently in use by industry and is also developing new software tools as necessary to fill technology gaps identified during execution of the project. Ultimately, the CCSI Toolset will (1) enable promising concepts to be more quickly identified through rapid computational screening of devices and processes; (2) reduce the time to design and troubleshoot new devices and processes; (3) quantify the technical risk in taking technology from laboratory-scale to commercial-scale; and (4) stabilize deployment costs more quickly by replacing some of the physical operational tests with virtual power plant simulations. CCSI is led by the National Energy Technology Laboratory (NETL) and leverages the Department of Energy (DOE) national laboratories’ core strengths in modeling and simulation, bringing together the best capabilities at NETL, Los Alamos National Laboratory (LANL), Lawrence Berkeley National Laboratory (LBNL), Lawrence Livermore National Laboratory (LLNL), and Pacific Northwest National Laboratory (PNNL). The CCSI’s industrial partners provide representation from the power generation industry, equipment manufacturers, technology providers and engineering and construction firms. The CCSI’s academic participants (Carnegie Mellon University, Princeton University, West Virginia University, Boston University and the University of Texas at Austin) bring unparalleled expertise in multiphase flow reactors, combustion, process synthesis and optimization, planning and scheduling, and process control techniques for energy processes. During Fiscal Year (FY) 13, CCSI announced the initial release of its first set of computational tools and models during the October 2012 meeting of its Industry Advisory Board. This initial release led to five companies licensing the CCSI Toolset under a Test and Evaluation Agreement this year. By the end of FY13, the CCSI Technical Team had completed development of an updated suite of computational tools and models. The list below summarizes the new and enhanced toolset components that were released following comprehensive testing during October 2013. 1. FOQUS. Framework for Optimization and Quantification of Uncertainty and Sensitivity. Package includes: FOQUS Graphic User Interface (GUI), simulation-based optimization engine, Turbine Client, and heat integration capabilities. There is also an updated simulation interface and new configuration GUI for connecting Aspen Plus or Aspen Custom Modeler (ACM) simulations to FOQUS and the Turbine Science Gateway. 2. A new MFIX-based Computational Fluid Dynamics (CFD) model to predict particle attrition. 3. A new dynamic reduced model (RM) builder, which generates computationally efficient RMs of the behavior of a dynamic system. 4. A completely re-written version of the algebraic surrogate model builder for optimization (ALAMO). The new version is several orders of magnitude faster than the initial release and eliminates the MATLAB dependency. 5. A new suite of high resolution filtered models for the hydrodynamics associated with horizontal cylindrical objects in a flow path. 6. The new Turbine Science Gateway (Cluster), which supports FOQUS for running multiple simulations for optimization or UQ using a local computer or cluster. 7. A new statistical tool (BSS-ANOVA-UQ) for calibration and validation of CFD models. 8. A new basic data submodel in Aspen Plus format for a representative high viscosity capture solvent, 2-MPZ system. 9. An updated RM tool for CFD (REVEAL) that can create a RM from MFIX. A new lightweight, stand-alone version will be available in late 2013. 10. An updated RM integration tool to convert the RM from REVEAL into a CAPE-OPEN or ACM model for use in a process simulator. 11. An updated suite of unified steady-state and dynamic process models for solid sorbent carbon capture included bubbling fluidized bed and moving bed reactors. 12. An updated and unified set of compressor models including steady-state design point model and dynamic model with surge detection. 13. A new framework for the synthesis and optimization of coal oxycombustion power plants using advanced optimization algorithms. This release focuses on modeling and optimization of a cryogenic air separation unit (ASU). 14. A new technical risk model in spreadsheet format. 15. An updated version of the sorbent kinetic/equilibrium model for parameter estimation for the 1st generation sorbent model. 16. An updated process synthesis superstructure model to determine optimal process configurations utilizing surrogate models from ALAMO for adsorption and regeneration in a solid sorbent process. 17. Validation models for NETL Carbon Capture Unit utilizing sorbent AX. Additional validation models will be available for sorbent 32D in 2014. 18. An updated hollow fiber membrane model and system example for carbon capture. 19. An updated reference power plant model in Thermoflex that includes additional steam extraction and reinjection points to enable heat integration module. 20. An updated financial risk model in spreadsheet format.

01 COAL, LIGNITE, AND PEAT↗

Application of Crunch-Flow Routines to Constrain Present and Past Carbon Fluxes at Gas-Hydrate Bearing Sites

In November 2012, Oregon State University initiated the project entitled: Application of Crunch-Flow routines to constrain present and past carbon fluxes at gas-hydrate bearing sites. Within this project we developed Crunch-Flow based modeling modules that include important biogeochemical processes that need to be considered in gas hydrate environments. Our modules were applied to quantify carbon cycling in present and past systems, using data collected during several DOE-supported drilling expeditions, which include the Cascadia margin in US, Ulleung Basin in South Korea, and several sites drilled offshore India on the Bay of Bengal and Andaman Sea. Specifically, we completed modeling efforts that: 1) Reproduce the compositional and isotopic profiles observed at the eight drilled sites in the Ulleung Basin that constrain and contrast the carbon cycling pathways at chimney (high methane flux) and non-chimney sites (low methane, advective systems); 2) Simulate the Ba record in the sediments to quantify the past dynamics of methane flux in the southern Hydrate Ridge, Cascadia margin; and 3) Provide quantitative estimates of the thickness of individual mass transport deposits (MTDs), time elapsed after the MTD event, rate of sulfate reduction in the MTD, and time required to reach a new steady state at several sites drilled in the Krishna-Godavari (K-G) Basin off India. In addition we developed a hybrid model scheme by coupling a home-made MATLAB code with CrunchFlow to address the methane transport and chloride enrichment at the Ulleung Basins chimney sites, and contributed the modeling component to a study focusing on pore-scale controls on gas hydrate distribution in sediments from the Andaman Sea. These efforts resulted in two manuscripts currently under review, and contributed the modeling component of another pare, also under review. Lessons learned from these efforts are the basis of a mini-workshop to be held at Oregon State University (Feb 2014) to instruct graduate students (OSU and UW) as well as DOE staff from the NETL lab in Albany on the use of Crunch Flow for geochemical applications.

03 NATURAL GAS↗

System Advisor Model, SAM 2014.1.14: General Description

This document describes the capabilities of the U.S. Department of Energy and National Renewable Energy Laboratory's System Advisor Model (SAM), Version 2013.9.20, released on September 9, 2013. SAM is a computer model that calculates performance and financial metrics of renewable energy systems. Project developers, policy makers, equipment manufacturers, and researchers use graphs and tables of SAM results in the process of evaluating financial, technology, and incentive options for renewable energy projects. SAM simulates the performance of photovoltaic, concentrating solar power, solar water heating, wind, geothermal, biomass, and conventional power systems. The financial model can represent financial structures for projects that either buy and sell electricity at retail rates (residential and commercial) or sell electricity at a price determined in a power purchase agreement (utility). SAM's advanced simulation options facilitate parametric and sensitivity analyses, and statistical analysis capabilities are available for Monte Carlo simulation and weather variability (P50/P90) studies. SAM can also read input variables from Microsoft Excel worksheets. For software developers, the SAM software development kit (SDK) makes it possible to use SAM simulation modules in their applications written in C/C++, C#, Java, Python, and MATLAB. NREL provides both SAM and the SDK as free downloads at http://sam.nrel.gov. Technical support and more information about the software are available on the website.

14 SOLAR ENERGY↗

Development of a system model for advanced small modular reactors.

This report describes a system model that can be used to analyze three advance small modular reactor (SMR) designs through their lifetime. Neutronics of these reactor designs were evaluated using Monte Carlo N-Particle eXtended (MCNPX/6). The system models were developed in Matlab and Simulink. A major thrust of this research was the initial scoping analysis of Sandia s concept of a long-life fast reactor (LLFR). The inherent characteristic of this conceptual design is to minimize the change in reactivity over the lifetime of the reactor. This allows the reactor to operate substantially longer at full power than traditional light water reactors (LWRs) or other SMR designs (e.g. high temperature gas reactor (HTGR)). The system model has subroutines for lifetime reactor feedback and operation calculations, thermal hydraulic effects, load demand changes and a simplified SCO2 Brayton cycle for power conversion.

Source record↗

Implementation and Evaluation of the Virtual Fields Method: Determining Constitutive Model Parameters From Full-Field Deformation Data.

The Virtual Fields Method (VFM) is an inverse method for constitutive model parameter identication that relies on full-eld experimental measurements of displacements. VFM is an alternative to standard approaches that require several experiments of simple geometries to calibrate a constitutive model. VFM is one of several techniques that use full-eld exper- imental data, including Finite Element Method Updating (FEMU) techniques, but VFM is computationally fast, not requiring iterative FEM analyses. This report describes the im- plementation and evaluation of VFM primarily for nite-deformation plasticity constitutive models. VFM was successfully implemented in MATLAB and evaluated using simulated FEM data that included representative experimental noise found in the Digital Image Cor- relation (DIC) optical technique that provides full-eld displacement measurements. VFM was able to identify constitutive model parameters for the BCJ plasticity model even in the presence of simulated DIC noise, demonstrating VFM as a viable alternative inverse method. Further research is required before VFM can be adopted as a standard method for constitu- tive model parameter identication, but this study is a foundation for ongoing research at Sandia for improving constitutive model calibration.

Kramer, Sharlotte Lorraine Bolyard↗

A Thermo-Optic Propagation Modeling Capability.

A new theoretical basis is derived for tracing optical rays within a finite-element (FE) volume. The ray-trajectory equations are cast into the local element coordinate frame and the full finite-element interpolation is used to determine instantaneous index gradient for the ray-path integral equation. The FE methodology (FEM) is also used to interpolate local surface deformations and the surface normal vector for computing the refraction angle when launching rays into the volume, and again when rays exit the medium. The method is implemented in the Matlab(TM) environment and compared to closed- form gradient index models. A software architecture is also developed for implementing the algorithms in the Zemax(TM) commercial ray-trace application. A controlled thermal environment was constructed in the laboratory, and measured data was collected to validate the structural, thermal, and optical modeling methods.

Schrader, Karl↗

Sandia Data Archive (SDA) file specifications

The Sandia Data Archive (SDA) format is a specific implementation of the HDF5 (Hierarchal Data Format version 5) standard. The format was developed for storing data in a universally accessible manner. SDA files may contain one or more data records, each associated with a distinct text label. Primitive records provide basic data storage, while compound records support more elaborate grouping. External records allow text/binary files to be carried inside an archive and later recovered. This report documents version 1.0 of the SDA standard. The information provided here is sufficient for reading from and writing to an archive. Although the format was original designed for use in MATLAB, broader use is encouraged.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

SHMTools: Structural Health Monitoring Software for Aerospace, Civil, and Mechanical Infrastructure

Structural Health Monitoring (SHM) involves a multitude of processes designed to detect damage in situ on various types of structures, from aircraft and buildings to bridges and mechanical infrastructure. In an early example of SHM, railroad wheeltappers used a hammer to strike train wheels to determine if there was damage present. At Los Alamos, scientists have developed SHMTools, a software suite that provides more than 100 advanced algorithms that quickly prototype and evaluate damage-detection processes. The software consists of modular MATLAB routines covering the three main stages of SHM: data acquisition, feature extraction, and feature classification. Multiple sensing modalities are supported, including acceleration, strain, and guided-wave data, all of which have been widely used in SHM practice.

42 ENGINEERING↗

Applying fast calorimetry on a spent nuclear fuel calorimeter

Recently at Los Alamos National Laboratory, sophisticated prediction algorithms have been considered for the use of calorimetry for treaty verification. These algorithms aim to predict the equilibrium temperature based on early data and therefore be able to shorten the measurement time while maintaining good accuracy. The algorithms have been implemented in MATLAB and applied on existing equilibrium measurements from a spent nuclear fuel calorimeter located at the Swedish nuclear fuel interim storage facility. The results show significant improvements in measurement time in the order of 15 to 50 compared to equilibrium measurements, but cannot predict the heat accurately in less time than the currently used temperature increase method can. This Is both due to uncertainties in the calibration of the method as well as identified design features of the calorimeter that limits the usefulness of equilibrium type measurements. The conclusions of these findings are discussed, and suggestions of both improvements of the current calorimeter as well as what to keep in mind in a new design are given.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hydrogen Selective Exfoliated Zeolite Membranes

The objective of this project was to develop and evaluate an innovative membrane technology at process conditions that would be representative of Integrated Gasification Combined Cycle (IGCC) advanced power generation with pre-combustion capture of carbon dioxide (CO 2 ). This research focused on hydrogen (H 2 )-selective zeolite membranes that could be utilized to separate conditioned syngas into H 2 -rich and CO 2 -rich components. Both experiments and process design and optimization calculations were performed to evaluate the concept of ultra-thin membranes made from zeolites nanosheets. In this work, efforts in the laboratory were made to tackle two fundamental challenges in application of zeolite membranes in harsh industrial environments, namely, membrane thickness and membrane stability. Conventional zeolite membranes have thicknesses in the micron range, limiting their performance. In this research, we developed a method for fabrication of ultimately thin zeolite membranes based on zeolite nanosheets. A range of layered zeolites (MWW, RWR, NSI structure types) suitable for hydrogen separation was successfully exfoliated to their constituent nanosheets. Further, membranes were made from one of these zeolites, MWW, to demonstrate the potential of this group of materials. Moreover, long-term steam stability of these zeolites (up to 6 months) was investigated in high concentrations of steam (35 mol% and 95 mole%), high pressure (10 barg), and high temperatures (350 °C and 600 °C) relevant to conditions of water-gas-shift and steam methane reforming reactions. It was found that certain nanosheets are stable, and that stability depends on the concentration of structural defects. Additionally, models that represent a water-gas-shift (WGS) membrane reactor equipped with the zeolite membrane were developed for systems studies. These studies had the aim of analyzing the effect of the membrane reactor integration into IGCC plants in terms of performance and economic aspects of the plants. Specifically, simulation and design optimization studies were performed using the developed stand-alone membrane reactor models to identify the membrane selectivity and permeance characteristics necessary to achieve desired targets of CO 2 capture and H 2 recovery, as well as guide the selection of the optimal reactor design that minimizes the membrane cost as a function of its surface area required. The isothermal membrane reactor model was also integrated into IGCC system models using both the MATLAB and Aspen software platforms and techno-economic analyses of the integrated plants have been carried out to evaluate the feasibility of replacing current technologies for pre-combustion capture by the proposed novel approach in terms of satisfying stream constraints and achieving the DOE target goal of 90% CO 2 capture. The results of the performed analyses based on present value of annuity calculations showed break even costs for the membrane reactor within the feasible range for membrane fabrication. However, the predicted membrane performance used in these simulations exceeded the performance achieved experimentally. Therefore, further work is required to improve membrane performance.

01 COAL, LIGNITE, AND PEAT↗