AndreaBozzo/ceres-open-data-index huggingface dataset:
Task 4.7 - Diesel fuel desulfurization: Topical report

Reductions in the maximum permissible sulfur content of diesel fuel to less than 0.05 wt % will require deep desulfurization technologies to meet these standards. In some refineries, new technologies for desulfurization and new hydrodesulfurization catalysts may be required for production of low-sulfur diesel fuel. Some of the major components of diesel fuel are dibenzothiophene (DBT) and alkyl-substituted dibenzothiophenes. The dibenzothiophenes are significantly more difficult to desulfurize in hydrotreating than diphenyl sulfides. However, DBT and presumably the substituted dibenzothiophenes are desulfurized readily by the bacterium Rhodococcus rhodocrous IGTS8. But when the dibenzothiophenes are highly diluted with other hydrocarbons in the diesel fuel, will there be enough specificity for their absorption and degradation by the enzyme systems? The extent to which a diesel fuel or middle distillate feed can be desulfurized by desulfurization enzymes was investigated. In addition, the effectiveness of molybdenum sulfide catalysts prepared at the Energy & Environmental Research Center for removing sulfur from diesel fuels was determined. A catalyst preparation involve creation of the molybdenum sulfide in a highly dispersed form between the layers of a mixed oxide (hydrotalcite) material. The mixed oxide can then be dissolved away to expose the molybdenum sulfide active sites.

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Task 1.11, Spectroscopic field screening of hazardous waste and toxic spills. Semi-annual report, July 1--December 31, 1995

The overall objective of this project is to study the feasibility of using and evanescent field absorbance sensor Fourier transform infrared (EFAS FT-IR) spectroscopic sensor coupled with cone penetrometry (CPT) as a field screening method. The specific objectives of this project are as follows: design an accessory for use with FT-IR that interfaces the spectrometer to a cone penetrometer; characterize the response of the FT-IR accessory to selected hydrocarbons in a laboratory-simulated field environment; and determine the ability of the FT-IR-CPT instrument to measure hydrocarbon contamination in soil by direct comparison with a reference method (e.g., Soxhlet extraction followed by gas chromatography) to quantify hydrocarbon from the same soil. Work performed during the second two quarters was focused on three areas: characterization of a candidate polymeric film for use in solid-phase microextraction (SPME) of analytes onto the sensor; evaluation of EFAS design; and development of a conceptual design for a spectroscopic sensor.

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Task 1, Fractal characteristics of drainage patterns observed in the Appalachian Valley and Ridge and Plateau provinces

Drainage patterns observed in the Appalachian Valley and Ridge and Plateau provinces exhibit distinctly different patterns. The patterns appear to be controlled by varying influences of local structural and lithologic variability. Drainage patterns in the Valley and Ridge study area can be classified as a combination of dendritic and trellis arrangements. The patterns vary over short distances in both the strike and dip directions. In the Granny Creek area of the Appalachian Plateau drainage patterns are predominantly dendritic. The possibility that these drainage patterns have fractal characteristics was evaluated by box-counting. Results obtained from box counting do not yield a well defined fractal regime in either areas. In the Valley and Ridge a space-filling, or random regime (D=2) is observed for boxes with side-lengths of 300 meters and greater. Below 300 meters, large changes in D occur between consecutively smaller box sizes. From side lengths of 300 to 150m, 150 to 75m, and 75 to 38m, D is measured at 1.77, 1.39, and 1.08 respectively. For box sizes less than 38m the fractal dimension is 1 or less. While the l0g-log response of the box counting data is nonlinear and does not define a fractal regime, the curves offer the possibility of characterizing non-fractal patterns. The rate at which D drops outside the random regime correlates to drainage density. D in areas with a smaller density of drainage segments fell toward saturation (D=1) more abruptly. The break-away point from the random regime and the transition to the saturated regime may provide useful information about the relative lengths of stream segments.

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Fractual interrelationships in field and seismic data. Final report

Fractals provide a description of physical patterns over a range of scales in both time and space. Studies presented herein examine the fractal characteristics of various geological variables such as deformed bed-lengths, fold relief, seismic reflection arrival time variations, drainage and topographic patterns, and fracture systems. The studies are also extended to consider the possibility that the fractal characteristics of these variables are interrelated. Fractal interrelationships observed in these studies provide a method for relating variations in the fractal characteristics of seismic reflection events from reservoir intervals to the fractal characteristics of reservoir fracture systems, faults, and fold distributions. The work is motivated by current exploration and development interests to detect fractured reservoirs and to accurately predict flow rates and flow patterns within the fractured reservoir. Accurate prediction requires an understanding of several reservoir properties including the fractal geometry of the reservoir fracture network. Results of these studies provide a method to remotely assess the fractal characteristics of a fractured reservoir, and help guide field development activities. The most significant outgrowth of this research is that the fractal properties of structural relief inferred from seismic data and structural cross sections provide a quantitative means to characterize and compare complex structural patterns. Production from fractured reservoirs is the result of complex structural and stratigraphic controls; hence, the import of fractal characterization to the assessment of fractured reservoirs lies in its potential to quantitatively define interrelationships between subtle structural variation and production. The potential uses are illustrated using seismic data from the Granny Creek oil field in the Appalachian Plateau.

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Utilization of lightweight materials made from coal gasification slags

Praxis is working on a DOE/METC funded project to demonstrate the technical and economic feasibility of making lightweight and ultra- lightweight aggregates from slags left as solid by-products from the coal gasification process. These aggregates are produced by controlled heating of the slags to temperatures ranging between 1600 and 1900{degrees}F. Over 10 tons of expanded slag lightweight aggregates (SLA) were produced using a direct-fired rotary kiln and a fluidized bed calciner with unit weights varying between 20 and 50 lb/ft{sup 3}. The slag-based aggregates are being evaluated at the laboratory scale as substitutes for conventional lightweight aggregates in making lightweight structural concrete, roof tiles, blocks, insulating concrete, and a number of other applications. Based on the laboratory data, large-scale testing will be performed and the durability of the finished products evaluated. Conventional lightweight aggregates made from pyroprocessing expansible shales or clays are produced for $30/ton. The net production costs of SLA are in the range of $22 to $24/ton for large systems (44 t/d) and $26-$30/ton for small systems (220 t/d). Thus, the technology provides a good opportunity for economic use of gasification slags.

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Nitrogen removal from natural gas using inorganic membranes - Phase I

This program was divided into two phases. The objective of Phase I was to demonstrate on a laboratory scale the economical separation of nitrogen from nitrogen-methane gas mixtures using a novel inorganic membrane to obtain pipeline quality natural gas with less than 4 percent nitrogen. The objectives of Phase II included bench-scale demonstration of nitrogen rejection from an actual, high nitrogen content natural gas source to produce pipeline quality gas and an economic comparison of this inorganic membrane separation technology with commercial nitrogen removal processes. The proposed method utilizes thin ceramic membranes on the surfaces of channels passing through a ceramic monolith support to selectively remove nitrogen from nitrogen-hydrocarbon gas mixtures. The membrane layer is composed of fine ceramic nanosize particles having an average diameter of 4 to 6 nanometers, produced by an IGT-patented process. A new proprietary fabrication method developed by IGT overcomes the limitations of solvent and sol-gel type inorganic membrane production methods. In this novel solvent-free process, membranes are formed by isostatic pressing. No expensive precursors are needed, and the membrane defects caused by solvent drying are avoided. Nitrogen is selectively removed from natural gas with this membrane at ambient temperature with low hydrocarbon gas loss and inlet gas pretreatment requirement. Separation efficiency is high because a high differential pressure provides the driving force to draw nitrogen through the membrane by size exclusion (molecular sieving) and surface diffusion mechanisms. Since the methane andother hydrocarbons do not pass through to the low pressure side of the membrane, no natural gas recompression is necessary.

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Hot-water extraction of nonpolar organic pollutants from soils - Task 1.7

Polychlorinated biphenyls (PCBs) were extracted from an industry soil and a sediment using hot-water (subcritical extraction) at 50 bar and 250{degrees}C. Although the PCB concentration in the sediment was nearly a thousand times lower than that in the industry soil, all the individual PCB congeners studied were quantitatively removed from the samples. The high removal efficiencies of PCBs from soil and sediment agree very well with those obtained for polycyclic aromatic hydrocarbons (PAHs) from highly contaminated soil at the same extraction conditions, demonstrating that water is a potentially useful extraction solvent for many organics.

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Process optimization methodology, Task 2

Increasing environmental awareness and regulations have placed new requirements on process design for advanced power systems, and increased the need for sophisticated simulation and design tools for examining pollution prevention options, The current research project is designed to address those needs. It builds on an earlier project sponsored by the U.S. Department of Energy`s Morgantown Energy Technology Center (DOE/METC) to develop enhanced modeling capabilities built around the ASPEN process simulator used by METC to analyze the performance of advanced power generation systems, The goals of the current project are to, (1) develop and implement new methodological capabilities in the areas of process optimization and synthesis; (2) develop and implement new performance and cost models of selected processes and process components for advanced power generation; and (3) to demonstrate the application of these new design methods and engineering models in the context of selected advanced power systems of interest to DOE/METC. This Topical Report is one in a series of reports summarizing the results of this project. In the present project, we enhance the ASPEN-based stochastic simulation framework through development of a generalized capability to deal with process synthesis and optimization as well as with stochastic optimization and stochastic programming problems. Sequential-modular simulators such as ASPEN have grown in sophistication over the years and are widely used in the chemical industries to solve complex problems with rigorous process modeling. Such capabilities have been built around the public version of the ASPEN simulator developed for DOE (MIT, 1982). In this report we describe the methodological basis for the stochastic optimization and stochastic programming capabilities. User`s manuals for these capabilities also are included as Appendices A and B.

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Process synthesis methodology, Task 3

Increasing environmental awareness and regulations have placed new requirements on process design for advanced power systems, and increased the need for sophisticated simulation and design tools for examining pollution prevention options. The current research project is designed to address those needs. It builds on an earlier project sponsored by the U.S. Department of Energy`s Morgantown Energy Technology Center (DOE/METC) to develop enhanced modeling capabilities built around the ASPEN process simulator used by METC to analyze the performance of advanced power generation systems. The goals of the current project are to, (1) develop and implement new methodological capabilities in the areas of process optimization and synthesis; (2) develop and implement new performance and cost models of selected processes and process components for advanced power generation; and (3) to demonstrate the application of these new design methods and engineering models in the context of selected advanced power systems of interest to DOE/METC. This Topical Report is one in a series of reports summarizing the results of this project. Sequential modular chemical process simulators, such as FLOWTRAN, ASPEN, or PROCESS have been widely used for the design of new and existing chemical processes. Recently, DOE has begun to use the ASPEN simulator to model advanced energy systems. These flowsheeting programs contain very detailed models for calculating mass and energy balances as well as for sizing and costing. This report deals with the development of a process synthesis capability built around the sequential modular simulator ASPEN using the mathematical programming approach, which requites the solution of a Mixed Integer Nonlinear Programming (MINLP) problem. A user`s manual for the new ASPEN MINLP Process synthesizer is provided in Appendix B.

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Applications of stochastic optimization, Task 4

This report illustrates the power of the new stochastic optimization and stochastic programming capabilities developed around the ASPEN simulator in solving various types of design and analysis problems for advanced energy systems. A case study is presented for the Lurgi air-blown dry ash gasifier IGCC system. In addition the stochastic optimization capability can also be used for off-line quality control. The methodology is presented in the context of a simple gas turbine combustor flowsheet.

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Hydrodynamic scaling and solids mixing in pressurized bubbling fluidized bed combustors. Final report, October 1992 - July 1996

A quarter-scale cold model of American Electric Power`s 70 MW, Tidd pressurized fluidized bed combustor (PFBC) has been constructed based on a simplified set of scaling parameters. Time-varying pressure drop data from the hot combustor and the cold model were used to compare the hydrodynamics of the two beds. Excellent agreement between the dimensionless probability density functions, the mean solid fraction profiles, and the bed expansions, provide a verification of the scaling parameters for commercial bubbling PFBC. Some controversy has surrounded the importance of matching the solid-to-gas density ratio when scaling bubbling beds. Hydrodynamic scaling comparisons were conducted with all the scaling parameters matched with the exception of the density ratio. The comparisons indicate that to reliably scale the hydrodynamics of bubbling beds it is essential to match the solid-to-gas density ratio. Bubbles provide the motive force for solids mixing in bubbling fluidized beds, prompting an investigation of the bubble characteristics in the cold model of the Tidd PFBC. A unique optical bubble probe design was used to measure bubble rise velocities, mean pierced lengths, and bubble frequency. Gas through-flow and bubble-growth rates appear to be significantly lower in pressurized beds than in atmospheric fluidized beds. A thermal tracer technique has been implemented in the cold model of the Tidd PFBC. The technique involves thermally tagging bed particles, injecting them into the bed, and tracking their motion using an array of thermistors, The thermal tracer data suggest that the tube bank within the bed restricts solids mixing, making adequate mixing in the tube-free zone at the bottom of the bed of paramount importance. Increasing gas superficial velocity is shown to increase both axial and lateral mixing beneath the tube bank. A mechanistic model of solids mixing in bubbling fluidized beds has been developed.

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Naturally fractured tight gas reservoir detection optimization. Quarterly report, April 1--June 30, 1996

Accomplishments during this quarter are described on the study being done in the Wind River basin. Accomplishments include 3-D P-wave alternate processing, interpretation this alternate processing, P-P and P-S processing, correlation matrix, modeling, and Wind River basin geology, including a geologic history of the Wind River basin, located in the center of the Rocky Mountain foreland.

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Selective methane oxidation over promoted oxide catalysts. Quarterly report, June 1 - August 31, 1996

Further data analysis for the conversion of methane to oxygenates over high surface are V{sub 2}O{sub 5}/SiO{sub 2} xerogel catalysts that were synthesized by a sol-gel process have been carried out. As previously described the vanadia loading of the catalysts was varied between 0-25 wt%. Turnover numbers (T.O.N.) have been calculated for methane conversion to products and for the synthesis of methanol and formaldehyde, where T.O.N. is defined as molecules converted or formed per dispersed tetrahedrally coordinated vanadium atom ad determined by {sup 51}V NMR analyses. It is found that highly dispersed tetrahedrally coordinated V{sup 5 } is the active site for the selective conversion of methane to methanol and formaldehyde.

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Recycle of contaminated scrap metal, comprehensive executive summary. Final report, September 30, 1993--March 31, 1996

R&D activities have demonstrated Catalytic Extraction Processing (CEP) to be a robust, one-step process process that is relatively insensitive to wide variations in waste composition and is applicable to a broad spectrum of DOE wastes. The feed size and composition compatible with CEP have been increased in a short period of time, and additional R&D should lead to the ability to accept a drum (and larger?) size feed of completely uncharacterized waste. Experiments have validated the CPU (Catalytic Processing Unit). Two commercial facilities have been commissioned and are currently processing mixed low level wastes. Expansion of CEP to transuranic and high level wastes should be the next step in the development and deployment of CEP for recycle, reuse, and disposal of materials from DOE decontamination and decommissioning activities.

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Advanced sulfur control concepts in hot gas desulfurization technology. Quarterly report, April 1--June 30, 1996

Experimental effort during the past quarter was restricted to the fixed-bed reactor. Effort during April was devoted to the sulfidation and regeneration of cerium oxide. Sulfidation tests were plagued by over-sulfidation, i.e., the quantity of H{sub 2}S removed from the gas phase exceeded the stoichiometric amount associated with the conversion of CeO{sub 2} to Ce{sub 2}O{sub 2}S. This was initially attributed to the formation of Ce{sub 2}S{sub 3} which was found to be thermodynamically possible in the highly reducing feed gas. However, the addition of steam to the feed gas to prevent Ce{sub 2}S{sub 3} formation did not eliminate the over-sulfidation problem. Later tests indicated that the apparent over-sulfidation was due to reaction between H{sub 2}S and the walls of the reaction vessel. Apparently the alonizing treatment to passivate the reactor walls was either ineffective at the reaction conditions or had deteriorated with use to the point that protection was no longer viable. Limited Ce{sub 2}O{sub 2}S regeneration results, although very qualitative, were quite favorable. In one regeneration test in an O{sub 2}-N{sub 2} atmosphere, no SO{sub 2} or H{sub 2}S were detected by the chromatograph in the regeneration product. Significant amounts of total sulfur were detected, and the test had to be terminated prematurely when elemental sulfur caused the product line leading to the chromatograph to plug. Experimental tests during May and June examined the regeneration of FeS as a function of temperature, gas feed composition, and gas flow rate. Complete regeneration was achieved with as much as 75% of the sulfur liberated in elemental form. Low regeneration temperature and large ratios of H{sub 2}O to O{sub 2} in the feed gas promote the formation of elemental sulfur. A number of changes in the reactor system were made during the quarter, including improvements to the sulfur condenser and filters on the reactor product line leading to the gas chromatograph.

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Review of the integrated thermal and nonthermal treatment system studies

This report contains a review and evaluation of three systems analysis studies performed by LITCO on integrated thermal treatment systems and integrated nonthermal treatment systems for the remediation of mixed low-level waste stored throughout the US Department of Energy weapons complex. The review was performed by an independent team of nine researchers from the Energy and Environmental Research Center, Science Applications International Corporation, the Waste Policy Institute, and Virginia Tech. The purpose of this review was to (1) determine whether the assumptions of the studies were adequate to produce an unbiased review of both thermal and nonthermal systems, (2) to identify the critical areas of the studies that would benefit from further investigation, and (3) to develop a standard template that could be used in future studies to assure a sound application of systems engineering.

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Development of an integrated, in-situ remediation technology: Task 2--4, electrokinetic modeling. Topical report, September 26--May 25, 1996

This report summarizes the work conducted in Tasks 2-4, which together make up the Electrokinetic Modeling carried out in this project. The modeling was divided into three main sections: thermal analysis, chemical species transport, and electrode geometry and soil heterogeneity issues. The thermal modeling consisted of development of the governing equations to incorporate Joule heating associated with electro-osmosis, heat conduction and convection, and temperature dependencies of electrical conductivity and electro-osmotic permeability. To model the transport of chemical species in the Lasagna{sup TM} process, a one-dimensional model was developed. This model is based on previous models, but includes additional mechanism to account for charge transfer in the double layer, pH buffering of the soil, and zeta potential dependency on pH and ionic strength. The results of this model and the corroboration by experimental measurement support some key assumptions made in the thermal model. An analysis was also conducted to compare the use of cylindrical electrodes to the plate geometry used in Phase I. In summary, cylindrical electrodes may be appropriate for anodes, because the do not intercept the flow. If used as cathodes, a planar treatment zone in their vicinity would probably be required. The cylindrical electrodes can operate at reasonable current densities without boiling water. Because the hottest region is at the electrode, cooling schemes could be used to operate at higher current densities. If iron anodes are used, they will have to be quite massive, and may not be economical compared to planar models. An example of soil heterogeneity was investigated when it was discovered that a steel pt was buried in the vicinity of the pilot test. There is some distortion of the field near the pit, but its effects on the test zone between the electrodes are minimal.

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