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At least 757 records · Page 42

The development of yield-based sooting tendency measurements and modeling to enable advanced combustion fuels

This project produced clear evidence that biofuels can reduce particulate emissions from road vehicles compared with petroleum-derived fuels. It also produced fundamental knowledge that can be used to select fuel compositions and engine designs that will maximize this benefit. This information has been disseminated through more than 20 peer-reviewed publications, more than 30 conference presentations, and 5 freely available internet databases and web tools. This project also provided educational opportunities to 17 students at the high school, undergraduate, and graduate levels.

09 BIOMASS FUELS↗

Aerosol Chemical Speciation Monitor (ACSM) Composition-Dependent Collection Efficiency (CDCE) Value-Added Product Report

Aerosol particles influence the Earth’s radiation balance directly by absorbing and scattering light and indirectly by influencing cloud formation, properties, and lifetimes. Measurements of aerosol particle optical properties, mass loading, size distributions, microphysical properties, cloud formation properties, and chemical composition are important for understanding the aerosol life cycle and for validating earth system models that predict these quantities. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Aerosol Observing System (AOS) is a highly instrumented platform that measures many of these aerosol properties in situ. The Aerodyne aerosol chemical speciation monitor (ACSM) is a baseline instrument deployed in the AOS. The ACSM provides a quantitative measurement of aerosol particle chemical composition for non-refractory (operationally defined as components that evaporate on the 600ºC vaporizer) aerosol components in real time. Standard output is the mass concentration of particulate organics, nitrate, sulfate, chloride, and ammonium. One well-known limitation to the accuracy of the ACSM data is in evaluating the fraction of the ambient aerosol particles that are detected by the instrument. This quantity is referred to as the collection efficiency (CE) and is often less than unity. This is attributed to particles rebounding after impaction onto the heated vaporizer rather than being trapped, volatilized rapidly, and detected. Other factors, such as divergence of the aerosol particle beam, may also impact CE, but the particle rebound effect is the dominant factor. Scientists will sometimes assume CE = 0.5 (i.e., one half of sampled particles are detected) for ambient particles collected during field missions. However, parameterizations have been developed that express CE as a function of the measured chemical composition, referred to as the composition-dependent collection efficiency (CDCE). The physical explanation for a CDCE, supported by laboratory studies, is that rebound from the vaporizer is a function of the particle phase, with liquid-like particles “sticking” to the vaporizer and solid-like or crystalline particles “bouncing” from the vaporizer. Thus, particles with compositions are liquids-like under the measurement conditions (e.g., certain organics, acidic particles, particles enriched in nitrate) have CE close to unity while crystalline or solid particles (e.g., deliquesced ammonium sulfate) have lower CE. This value-added product (VAP) implements the procedure described by Middlebrook et al. (2012) to correct the ACSM data for the composition-dependent collection efficiency. Applying this parameterization improves the accuracy of the ACSM data and brings them into better agreement with other co-located aerosol measurements.

54 ENVIRONMENTAL SCIENCES↗

Continued Investigations of Respirable Release Fractions for Stress Corrosion Crack-Like Geometries

The formation of a stress corrosion crack (SCC) in the canister wall of a dry cask storage system (DCSS) has been identified as a potential issue for the long-term storage of spent nuclear fuel. The presence of an SCC in a storage system could represent a through-wall flow path from the canister interior to the environment. Modern, vertical DCSSs are of particular interest due to the commercial practice of using relatively high backfill pressures (up to approximately 800 kPa) in the canister to enhance internal natural convection. This pressure differential offers a comparatively high driving potential for blowdown of any particulates that might be present in the canister. In this study, the rates of gas flow and aerosol transmission of a spent fuel surrogate through an engineered microchannel with dimensions representative of an SCC were evaluated experimentally using coupled mass flow and aerosol analyzers. The microchannel was formed by mating two gage blocks with a linearly tapering slot orifice nominally 13 μm (0.005 in.) tall on the upstream side and 25 μm (0.0010 in.) tall on the downstream side. The orifice is 12.7 mm (0.500 in.) wide by 8.89 mm (0.350 in.) long (flow length). Surrogate aerosols of cerium oxide, CeO 2 , were seeded and mixed with either helium or air inside a pressurized tank. The aerosol characteristics were measured immediately upstream and downstream of the simulated SCC at elevated and ambient pressures, respectively. These data sets are intended to demonstrate a new capability to characterize SCCs under well-controlled boundary conditions. Modeling efforts were also initiated that evaluate the depletion of aerosols in a commercial dry storage canister. These preliminary modeling and ongoing testing efforts are focused on understanding the evolution in both size and quantity of a hypothetical release of aerosolized spent fuel particles from failed fuel to the canister interior and ultimately through an SCC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Time Domain Thermoreflectance (TDTR) Studies of Microstructural Characterization of as-Fabricated and/or Irradiated TPBAR Components

Paddock et al. demonstrated for the first-time the measurement of thermal diffusivity from thin metal films using picosecond transient thermoreflectance in 1986. This project attempted to use a similar experimental setup based on a femtosecond time domain thermoreflectance (TDTR) to measure the damage to the crystal lattice of LiAlO 2 from irradiation in the reactor and production of tritium and helium. The TDTR is based on a pump-probe laser configuration where the pump laser is used to heat the sample and the probe laser is used to follow the thermal evolution created by the pump laser. The goal for this project is to measure the differences in thermal diffusivity between LiAlO 2 and the irradiated Li AIO 2 sample in a reactor. Unfortunately, COVID-19 restricted laboratory research time and the availability of researchers capable to conduct TDTR work. In addition, the ultrafast laser (Astrella 35fs laser) required to conduct the work was inoperable making this particulate work impossible to conduct in FY20 and FY21. The purpose of the thermal diffusion measurements with a TDTR setup is to probe the damage and disorder to the crystal lattice of pristine and irradiated samples. Since TDTR was not available for this work, a different approach using Raman and luminescence spectroscopy was used to characterize the crystal lattice damage in LiAlO 2 from irradiation.

07 ISOTOPE AND RADIATION SOURCES↗

An Overview of Policies Influencing Air Pollution from the Electricity Sector in South Asia

The electricity sector is a substantial source of air pollution and associated health problems in South Asia and elsewhere. Fossil-fueled power plants emit a wide variety of harmful pollutants. Those with the greatest health impacts are particulate matter and ozone. Once released into the atmosphere, there is no practical way to remove air pollutants, which means that policies designed to improve air quality have to limit the pollutants before release. However, tackling such pollution is challenging because developing economies also need to provide electricity as a basic necessity for their citizens and as an engine of economic growth. This report provides examples of policies impacting air pollution from the fossil-fuel electricity sector in the South Asian countries of Afghanistan, Bangladesh, Bhutan, India, the Maldives, Nepal, Pakistan, and Sri Lanka. Some of this information was difficult to locate, so this is not a comprehensive study, but rather an overview or "scan" of the sector that includes examples of (1) policies that directly regulate air quality by limiting emissions from specific point sources (by restricting operating hours, for instance), and (2) indirect policies that incentivize or disincentivize polluting activities, such as policies to encourage fuel switching, for example. The report shows (1) the great variation among the policy instruments used in each country, (2) that many countries, especially those that have a mismatch between seasonal demand and resource availability, could improve energy security and reduce air pollution through increased cross-border electricity trade, and (3) some countries have contradictory policies (promoting both coal and renewables, for instance).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Progress Report on Model Development for the Transport of Aerosol Through Microchannels

Accuracy of consequence assessments could be improved by accounting for the leak path deposition of aerosol in the source term. Recent experimental measurements from Sandia (2018) provided evidence of partial microchannel plugging due to particulate deposition. This filtration effect is relevant to the source term assessments and it is not unreasonable to anticipate that aerosol deposition in more realistic geometries could even lead to complete plugging of the leak path. This report summarizes current progress (as of end of Q3 FY 2020) on the development of a phenomenological model of aerosol transport, deposition, and plugging through microchannels. The purpose is to introduce a generic, reliable numerical model for the prediction of aerosol transport, deposition, and plugging in leak paths while accounting for potential plugging formation. This report includes (1) an overview of recent additions and improvements on the recently developed numerical model to analyze the various deposition processes in leak paths, to provide quantitative estimates of penetration factors, and to gain an understanding of the variables that affect them and (2) a summary of recent benchmarking results of the model’s validity with recent experimental measurements from Sandia.

54 ENVIRONMENTAL SCIENCES↗

Instantaneous Three-Dimensional Temperature Measurements via Ultrafast Laser Spectroscopy with Structured Light

Detonations and flames are characterized by three-dimensional (3D) temperature fields, yet state-of- the-art temperature measurement techniques yield information at a point or along a line. The goal of the research documented here was to combine ultrafast laser spectroscopy and structured illumination to deliver an unprecedented measurement capability—three-dimensional, instantaneous temperature measurements in a gas-phase volume. To achieve this objective, different parts of the proposed technique were developed and tested independently. Structured illumination was used to image particulate matter (soot) in a turbulent flame at multiple planes using a single laser pulse and a single camera. Emission spectroscopy with structured detection was demonstrated for emission- based measurements of explosives with enhance dimensionality. Finally, an instrument for multi- planar laser-based temperature measurement technique was developed. Structured illumination techniques will continue to be developed for multi-dimensional and multi-parameter measurements. These new measurement capabilities will be important for heat transfer and fluid dynamic research areas.

42 ENGINEERING↗

Technical analysis of filter testing at the U.S. Department of Energy Filter Test Facility

The U.S. Department of Energy (DOE) technical standard DOE-STD-3020-2015 requires verification testing at the Filter Test Facility (FTF) of high-efficiency particulate air (HEPA) filters to be installed in nuclear facility (Hazard Category 1, 2, 3, and radiological facilities) confinement ventilation systems, or to be installed in habitability systems (e.g., filters for protection of workers required to act for the control and mitigation of emergency situations). Filters in these applications perform a safety function in accident situations, are designated as important to safety, or are necessary for habitability systems. Different FTFs have operated for decades, and results of tests are available to examine the need for and benefits of continued execution of 100 percent QA verification testing. The objective of this study and resulting report was to assess the need for 100 percent QA testing at the current FTF in Maryland, based on an examination of a database of test results from 2013 to August 2020. Filters that require independent testing per DOE-STD-3020-2015 to be installed in nuclear facilities are sent to the FTF before being shipped to the facilities. The FTF examines the documentation (e.g., certificates of compliance, results of particle penetration and airflow resistance testing by the manufacturers, labels affixed to filters and packages, and other requirements specified in purchase orders by the nuclear facility operators), implements visual inspections of the physical state of the filters, and checks the dimensions of frames. Filters that meet the documentation and visual inspection requirements are subjected to particle penetration and airflow resistance testing. In case of rejections, the filters are shipped back to the manufacturers, at the cost of the manufacturers, for replacement. Filters that pass all tests are shipped to the nuclear facilities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Aerosol Engineering Facility 2021-22 summary sheet [Slides]

The Aerosol Engineering Facility solves problems that involve radioactive particulates, including HEPA air filters, storage containers, exhaust stacks, and continuous air monitors. Other work includes silica dust sampling, bioaerosols, and insecticide sprays. Aerosol technology science describes the behavior of microscopic and nano-sized particles, in both molecular and continuum gas flow regimes.

36 MATERIALS SCIENCE↗

Examining the Ice Nucleating Particles from Southern Great Plains Part II (ExINP-SGP). Field Campaign Report

Knowledge of airborne particulate matter (PM), especially the particles that have supermicron diameters, is key for understanding ice-nucleating particles (INPs). Supported by the Atmospheric Radiation Measurement (ARM) user facility, recent INP measurements at the Southern Great Plains observatory (SGP; 36'' 36' 18→ N, 97° 29' 6'' W) during multiple campaigns, such as SINCE-2014 (DeMott et al. 2015), Examining the Ice-Nucleating Particles from SGP (ExINP-2019; Hiranuma and Vepuri 2020), and Aerosol-Ice Formation Closure Pilot Study (AEROICESTUDY; Knopf et al. 2021a), strongly suggested the contribution of supermicron aerosol particles to observed INP abundance at SGP. However, verification of this hypothesis was hampered since additional offline laboratory analyses require sufficient amounts of collected airborne PM, which was lacking. Therefore, the principal investigators (PIs) conducted a field campaign, named ExINP-SGP II, to collect airborne PM at SGP for complementary laboratory characterization of the particles’ physicochemical properties (including ice nucleation properties). We used a passive particle sampler, which is a 4’ x 4’ x 2” (L x W x D) aluminum pan inside the 12”-high wooden windshield wall at the rooftop deck of the ARM Aerosol Observing System (AOS) trailer to collect dry PM deposits from January to April 2021. Figure 1 shows images of our experimental setup at the site. Additionally, we also collected surface soil near the ARM AOS trailer on 20 November 2020 (Figure 1b) to examine the ground soil dust particles (< 63 µm sieved) for their propensities to initiate immersion freezing compared to collected ambient PM. Surface soil and airborne samples were stored in the chemically inert container separately and kept in a dry, cool place until analyzed.

54 ENVIRONMENTAL SCIENCES↗

Mid Infra-Red Laser Sensor for Continuous Sulfur Trioxide Monitoring to Improve Coal-Fired Power Plant Performance during Flexible Operations

During the course of this project, we performed exhaustive research and development of SO3/H2SO4 sensing technology for coal-fired power plant applications (Figure 1). The development culminated in a successful field campaign of a prototype continuous real-time H2SO4 monitor at a coal-fired power plant (TRL 6) accomplishing the primary goal of the project. The developed sensors utilize tunable laser absorption spectroscopy (TLAS) operating in the mid-infrared (Mid-IR) wavelength region, which is the so-called “molecular fingerprint” region. Systems operating in the Mid-IR have orders of magnitude more sensitivity than systems operating at shorter wavelengths, such as near-infrared (NIR). However, NIR systems are more widespread due to more mature supporting technology (e.g., fiber optics, optical components, etc.). In this project, we not only produced a specific Mid-IR sensor, we also advanced Mid-IR sensor technology in general through the development and demonstration of such supporting technology. In this project, we also developed proprietary broad tuning lasers enabling the ability to effectively measure SO3, H2SO4, H2O, and SO2. Different molecular species have unique spectral signatures that can be probed with lasers operating at different wavelengths. Standard TLAS uses relatively narrow wavelength tuning distributed feedback (DFB) lasers, which can typically only target a single species with narrow features, and are not appropriate for species with broad features, such as SO3 or H2SO4. In contrast, by developing unique, broad-tuning laser technology, we were able to measure these species, as well as SO2 and H2O simultaneously. Furthermore, to enable real-time analysis at a power plant, we modified a commercially available heated gas cell to operate in the Mid-IR wavelength range and fiber coupled the lasers to enable remote delivery of the beams. To generate reference data (library spectra), our collaborators at the University of California Irvine (UCI) developed a catalytic SO3 generation facility. It is worth mentioning that representative H2SO4 and SO3 Mid-IR spectra are not a part of any publicly available database and the data generated under this project is a valuable resource in and of itself. In addition, based on the UCI study we determined that detection of SO3 is complicated by the very strong SO2 absorption. For that reason, we concentrated on H2SO4 detection. Since SO3 and H2SO4 exist in a flue gas in a state of equilibrium, which depends on temperature and humidity, by measuring water concentration and controlling the temperature of the gas cell, we developed an approach to determine SO3 concentration from the H2SO4 measurement. During the development phase of the project, we performed three testing campaigns at our collaborator’s FERCo flue gas facility with conditions representative of the coal-fired power plant (~ 40ppm SO3, 1700ppm to 2800 ppm SO2, 10% water) with the exception of particulate matter. After three test campaigns at FERCo we performed field testing at Harrison Power Station. The final system was mounted on a duct and measured H2SO4, SO2 and water. The tests were highly successful with a demonstrated real-time H2SO4 precision of 1 ppm with a 1 second update. Our collaborators at EPRI conducted an industry survey and determined that there is a very high interest for the SO3/H2SO4 monitoring in the power generation industry as well as in heavy industries in general. Furthermore, work performed by OptoKnowledge beyond the scope of this project under a synergistic DOE SBIR determined another approach to SO3 detection. We applied for Phase II on this SBIR for development a of versatile SO3/H2SO4 sensor but were not selected. We are currently looking for another opportunity to leverage all the technological advancements produced by this project including but not limited to the flue gas facility at UCI, the hardware and software developed, and relationships with FERCo, EPRI CEMTEK, and Harrison Station.

01 COAL, LIGNITE, AND PEAT↗

Characterization of Infrequent Samples from the Concentration, Storage, and Transfer Facility: H-Area Diversion Box 1 (HDB-1) Sump Sample: January 25, 2022 Sample

Savannah River Remediation Engineering (SRR-E) requested that the Savannah River National Laboratory (SRNL) analyze the Concentration, Storage, and Transfer Facility (CSTF) samples from the following Tank Farm areas: the sump encasement, catch tank, drain cell, and waste tank annulus. In general, these CSTF samples will be analyzed on an infrequent basis and analyses will include detection for total beta/gamma, total alpha activities, density, free hydroxide, and pH measurements. This report presents characterization results for the H-Area diversion box 1 sump (HDB-1) January 2022 sample. The sample was slightly brown with a small amount of suspended fine particulates visually estimated to be less than 1% by volume. The results are measurements for total gamma, total alpha, total beta, density, free hydroxide, and pH.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of Infrequent Samples from the Concentration, Storage, and Transfer Facility: Leak Detection Box (LDB) Drain Cell Sample: February 09, 2022 Sample

Savannah River Mission Completion Engineering (SRMC-E) requested that the Savannah River National Laboratory (SRNL) analyze the Concentration, Storage, and Transfer Facility (CSTF) samples from the following Tank Farm areas: the sump encasement, catch tank, drain cell, and waste tank annulus. In general, these CSTF samples will be analyzed on an infrequent basis and analyses will include detection for total beta/gamma activities, total alpha activity, density, free hydroxide, and pH measurements. This report presents characterization results for the leak detection box (LDB) February 09, 2022 drain cell sample. The sample was clear and colorless with no visible particulates. The results are measurements for total gamma, total alpha, total beta, density, free hydroxide, and pH.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization, Chemistry, and Particle Size Distribution of Fallout Particles Isolated from Filter Samples

Nuclear particulate fallout is the radioactive byproduct of a nuclear event formed by the mixture of proximate environmental materials with vaporized bomb debris. The debris can be transported into the atmosphere during cloud rise, raining out locally and globally constituting a radiation hazard. Questions remain on how entrainment of environmental material in the fireball affects fallout formation processes and radionuclide incorporation during cooling.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Calibrating the SPECTACULAR constitutive model using legacy Sandia data for two filled epoxy systems: 828/CTBN/DEA/GMB and 828/DEA/GMB

The SPECTACULAR model is a development extension of the Simplified Potential Energy Clock (SPEC) model. Both models are nonlinear viscoelastic constitutive models used to predict a wide range of time-dependent behaviors in epoxies and other glass-forming materials. This report documents the procedures used to generate SPECTACULAR calibrations for two particulate-filled epoxy systems, 828/CTBN/DEA/GMB and 828/DEA/GMB. No previous SPECTACULAR or SPEC calibration exists for 828/CTBN/DEA/GMB, while a legacy SPEC calibration exists for 828/DEA/GMB. To generate the SPECTACULAR calibrations, a step-by-step procedure was executed to determine parameters in groups with minimal coupling between parameter groups. This procedure has often been deployed to calibrate SPEC, therefore the resulting SPECTACULAR calibration is backwards compatible with SPEC (i.e. none of the extensions specific to SPECTACULAR are used). The calibration procedure used legacy Sandia experimental data stored on the Polymer Properties Database website. The experiments used for calibration included shear master curves, isofrequency temperature sweeps under oscillatory shear, the bulk modulus at room temperature, the thermal strain during a temperature sweep, and compression through yield at multiple temperatures below the glass transition temperature. Overall, the calibrated models fit the experimental data remarkably well. However, the glassy shear modulus varies depending on the experiment used to calibrate it. For instance, the shear master curve, isofrequency temperature sweep under oscillatory shear, and the Young's modulus in glassy compression yield values for the glassy shear modulus at the reference temperature that vary by as much as 15 %. Also, for 828/CTBN/DEA/GMB, the temperature dependence of the glassy shear modulus when fit to the Young's modulus at different temperatures is approximately four times larger than when it is determined from the isofrequency temperature sweep under oscillatory shear. For 828/DEA/GMB, the temperature dependence of the shear modulus determined from the isofrequency temperature sweep under oscillatory shear accurately predicts the Young's modulus at different temperatures. When choosing values for the shear modulus, fitting the glassy compression data was prioritized. The new and legacy calibrations for 828/DEA/GMB are similar and appear to have been calibrated from the same data. However, the new calibration improves the fit to the thermal strain data. In addition to the standard calibrations, development calibrations were produced that take advantage of development features of SPECTACULAR , including an updated equilibrium Helmholtz free energy that eliminates undesirable behavior found in previous work. In addition to the previously mentioned experimental data, the development calibrations require data for the heat capacity during a stress-free temperature sweep to calibrate thermal terms.

36 MATERIALS SCIENCE↗

Impacts of phase state and water content on secondary organic aerosol formation and partitioning (Final Technical Report)

Secondary organic aerosols (SOA) account for a major fraction of particulate matter in the atmosphere, affecting climate, air quality, and public health. SOA formation and evolution are highly complex processes involving both chemical reactions and transport of molecules in air, at particle surfaces, and within particles. The state of the matter, or “phase state,” comprising SOA can vary from a liquid, over an amorphous semi-solid, to a glassy solid, depending on chemical composition, water content, relative humidity (RH), and temperature. The occurrence of glassy and amorphous semi-solid states can pose limitations on the rate of transport of molecules, affecting gas-particle interactions and challenging the treatment of SOA in atmospheric models. The objective of this project was to improve fundamental understanding of the interplay of the phase state of particles and water content on the evolution of SOA formation. We have developed a method to estimate the glass transition temperature (T g ) of organic compounds to predict the phase state and viscosity of SOA. This method has been applied to high resolution mass spectrometry data of various types of SOA, achieving a good agreement with viscosity measurements. In addition, the viscosity estimation method was implemented into a regional model CMAQ to simulate diel and seasonal variations of SOA phase state over the U.S. Applying kinetic multilayer modeling, we analyzed laboratory experiments and ARM field measurements (e.g., HI-SCALE) on kinetic limitations of amine uptake. We have also conducted numerical simulations to estimate equilibration timescales of SOA partitioning. Overall, we have evaluated the impacts of phase state and water content on SOA lifecycle that should contribute to reducing the uncertainty of SOA representation in regional climate and air quality predictions. The project has yielded 17 publications, in which DE-SC0018349 is explicitly acknowledged. Please see the list of publications as below, followed by summary of research activities.

54 ENVIRONMENTAL SCIENCES↗

Resource Recovery and Environmental Protection in Wyoming’s Greater Green River Basin Using Selective Nanostructured Membranes (Final Report)

Produced water (PW) represents a sizable waste stream that is co-generated with oil and natural gas production. In 2021 Wyoming ranked 8th and 9th, respectively in domestic oil and natural gas production. In 2017 Wyoming ranked as the 4th highest generator of PW in the U.S, accounting for 7% of the total volume generated. In the context of being the 3rd most arid state in the U.S., the value of water reuse becomes obvious. PW reuse, and resource recovery, in any form requires some level of treatment to remove particulates, residual (free, dispersed) hydrocarbons, organics, and salts. The level of treatment depends on the requirements of the reuse, or resource recovery, application. PW management systems in Wyoming employ in order of volume of PW managed the following management strategies: reinjection for enhanced oil recovery, surface discharge, deep well injection, evaporation ponds (impoundments), and commercial management/treatment. Complicating treatment efforts are the relatively high concentrations of organics (natural and synthetic), dispersed/free hydrocarbons, benzene-toluene-ethylbenzene, and xylenes (BTEX) compounds, biologicals, salts, and minerals. Hydrocarbons (dispersed/dissolved crude oils) and BTEX compounds, as well as synthetic organics, present economic and environmental concerns. The former represents lost revenue, while the latter results in negative environmental impacts like emissions from surface impoundments. The overall objective of this proposal was to synthesize superhydrophilic/oleophobic and superhydrophobic/oleophilic membranes for selectively concentrating and then separating BTEX compounds and oil and grease (O&G) from PW originating from the Greater Green River Basin (GGRB) in Wyoming. Three specific research aims were pursued to accomplish this overall objective. This final report details the development of the superhydrophobic and superhydrophilic membranes, as well as the design of the membrane module prototypes specifically. The technoeconomic assessment is separately reported in another document. 1. Aim #1 – Material optimization and performance evaluation of superhydrophilic/oleophobic and superhydrophobic/oleophilic membranes made by electrospinning/spraying. 2. Aim #2 – Design and construction of cross-flow membrane modules for selectively concentrating and then separating BTEX/oil from GGRB produced water. 3. Aim #3 – Techno-economic assessment of BTEX/oil recovery, and clean water production, using superhydrophilic/oleophobic and superhydrophobic/oleophilic membrane separation for GGRB PW. Superhydrophobic membranes were synthesized by electrospinning poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) nanofibers onto polyester (PET) substrates and electrospraying nano-carbon black/PVDF-HFP onto the nanofibrous layer. These membranes were characterized by high (>8000 liters per square meter per hour per bar (LMH/bar)) permeance values for pure hydrocarbon phases and a high hydrocarbon selectivity (>96%) when treating GGRB PW. All results were obtained when operating the membrane in a crossflow configuration representative of actual field operating conditions. Solvent/oil properties, specifically viscosity and total surface energy/tension, affected permeance across the membrane, which resulted in light mineral oil (394 LMH/bar) and o-xylene (1834 LMH/bar) being characterized by lower permeance values in the pure phase tests. Mixed phase fluxes between 40 to 80 LMH were obtained for the PW when operating the membrane at a feed pressure of 0.3 bar. Flux decreased as the mixed phase concentration in the feed decreased pointing to the importance of maximizing the collision efficiency between the emulsion and the membrane surface and maximizing the emulsion concentration in the feed and the turbulence within the feed channel. These tests demonstrated that the superhydrophobic membranes developed here are a viable hydrocarbon recovery method for GGRB PWs and should be pursued for testing in pilot-scale trials. Superhydrophilic membranes were successfully synthesized via electrospinning/spraying using polyacrylonitrile (PAN) nanofibers as a base nanofibrous matrix. Integration of polyaniline (PANI) into the nanofibrous matrix produced a superior membrane, for water filtration applications, relative to PAN alone and reduced graphene oxide (RGO) when integrated into the nanofibrous matrix. This conclusion was based on the PANI-PAN resistance to flux loss (fouling) when treating model solvent/oil solutions representative of GGRB PWs and field collected PW from the GGRB. The synthesized PAN membranes outperformed a commercially available PAN membrane designed for oil/water separation. This finding indicates that the surface chemical and physical characteristics of the electrospun membranes presents improved properties for filtration of challenging waters like GGRB PWs. The electrospun membranes therefore show promise overall as a substitute for conventionally polymerized membranes in PW treatment applications. The PANI-PAN membrane specifically presents superior performance characteristics for concentration O&G prior to treatment by the hydrocarbon recovery membrane and producing high-quality filtrate for reuse and/or additional treatment (desalination).

02 PETROLEUM↗

Evaluation of erosion potential of bio-based multicomponent blendstocks using experimentally-validated computational fluid dynamics

The optimization of the fuel-engine interface and associated performance is a significant goal for CoOptima and the industry. The strategic driver for fuel-engine optimization is clear: diesel optimization can significantly reduce emissions including NOx, particulate matter, and CO2 emissions. Previous evaluations of ethanol and diesel blends raised significant concerns with fuel injector erosion using ethanol blends. While Sylvatex’s technology can use ethanol, it also utilizes a surfactant and water to compatibilize and modify ethanol blends, thereby controlling its impact in diesel engines. The results from the project will (1) provide important insights into complex fuels and erosion, which will be used to design additional, improved formulations; and (2) expand capabilities of Argonne’s cavitation-induced erosion risk assessment (CIERA) tool to model multi-component systems, furthering Co-Optima objectives.

09 BIOMASS FUELS↗