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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Lignin-Derived Methoxyterephthalates for Performance-Advantaged Polymers and Plasticizers

Lignin-derived aromatic carboxylic acids can be produced from oxidative catalytic processes and are promising building blocks for performance-advantaged bioproducts that leverage their inherent heteroatom functionalities. Here, we synthesize 2-methoxyterephthalate and 2,6-dimethoxyterephthalate derivatives by electrochemical carboxylation of guaiacyl- and syringyl-derived lignin monomers obtained from the oxidative deconstruction of lignin. These methoxylated terephthalates are evaluated as comonomers in poly(ethylene terephthalate) (PET) and as plasticizers that could replace petrochemically-derived isophthalate and phthalate, respectively. Specifically, we copolymerize 2-methoxy- and 2,6-dimethoxyterephthalate with dimethyl terephthalate to form several PET copolymers, both of which enable the properties of PET to be tuned, with an incorporation beyond 25% producing amorphous polyesters. At 10 mol % loading in the copolymers, we demonstrate that the bioderived comonomers exhibit comparable behavior to isophthalic acid, a commonly used comonomer in PET, by lowering the crystallinity and melting temperature. Moreover, methoxyterephthalate esters (2-ethylhexyl and butyl) are compared to phthalate and terephthalate ester counterparts used as poly(vinyl chloride) (PVC) plasticizers. The bioderived plasticizers are comparable to the petroleum-derived incumbents in reducing the glass transition temperature and increasing the thermal stability of PVC. Furthermore, the dimethoxyterephthalic esters are expected to have an extended lifetime in the polymer matrix due to their lower volatility and lower diffusion coefficients calculated by molecular dynamic simulations. These results demonstrate that the isophthalate and phthalate components in polyesters and plasticizers, respectively, could be substituted with biobased methoxyterephthalate derivatives.

09 BIOMASS FUELS↗
DOE OSTI2025

Catalytic Borylation of Poly(vinyl chloride) Produces Adhesive Materials

Postpolymerization functionalization of polymers can create new applications for existing materials, while retaining their most favorable, intrinsic properties. Polyvinyl chloride (PVC) is a widely used, commodity polymer that is particularly challenging to modify. We report a copper-catalyzed protocol that replaces a small fraction of the C-Cl bonds in PVC with C-B bonds to boronic esters. The reaction occurs with an inexpensive catalyst comprising copper(II) chloride and an NHC ligand derived from a common ionic liquid that is distinct from the N-heterocyclic carbene (NHC) used for the borylation of small alkyl halides. The resulting materials adhere strongly to common surfaces, such as glass and metals, even more strongly than do commercial glues.

D’Angelo, Kyan A↗
DOE OSTI2015

β-decay of magic nuclei: Beyond mean-field description

Nuclear β-decay plays an important role not only in nuclear physics but also in astrophysics. The widely used self-consistent Random Phase Approximation (RPA) models tend to overestimate the half-lives of magic nuclei. To overcome this problem, we go beyond the mean-field description and include the effects of particle-vibration coupling (PVC) on top of the RPA model. The β-decay half-lives of {sup 34}Si, {sup 68}Ni, {sup 78}Ni, and {sup 132}Sn are studied within this approach in the case of the Skyrme interaction SkM*. It is found that the low-lying Gamow-Teller (GT) strength is shifted downwards with the inclusion of the PVC effect, and as a consequence, the half-lives are reduced due to the increase of the phase space available for β-decay, which leads to a good agreement between theoretical and experimental lifetimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Cumulative phase delay imaging - A new contrast enhanced ultrasound modality

Recently, a new acoustic marker for ultrasound contrast agents (UCAs) has been introduced. A cumulative phase delay (CPD) between the second harmonic and fundamental pressure wave field components is in fact observable for ultrasound propagating through UCAs. This phenomenon is absent in the case of tissue nonlinearity and is dependent on insonating pressure and frequency, UCA concentration, and propagation path length through UCAs. In this paper, ultrasound images based on this marker are presented. The ULA-OP research platform, in combination with a LA332 linear array probe (Esaote, Firenze Italy), were used to image a gelatin phantom containing a PVC plate (used as a reflector) and a cylindrical cavity measuring 7 mm in diameter (placed in between the observation point and the PVC plate). The cavity contained a 240 µL/L SonoVueO{sup ®} UCA concentration. Two insonating frequencies (3 MHz and 2.5 MHz) were used to scan the gelatine phantom. A mechanical index MI = 0.07, measured in water at the cavity location with a HGL-0400 hydrophone (Onda, Sunnyvale, CA), was utilized. Processing the ultrasound signals backscattered from the plate, ultrasound images were generated in a tomographic fashion using the filtered back-projection method. As already observed in previous studies, significantly higher CPD values are measured when imaging at a frequency of 2.5 MHz, as compared to imaging at 3 MHz. In conclusion, these results confirm the applicability of the discussed CPD as a marker for contrast imaging. Comparison with standard contrast-enhanced ultrasound imaging modalities will be the focus of future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Benchmark of the Chlorine Worth Study Experiments in Support of Chlorine Nuclear Data Validation for Nuclear Criticality Safety

The Chlorine Worth Study (CWS) was a critical experiment to address an urgent need for thermal chlorine nuclear data validation in plutonium systems. This urgent need is tied directly to plutonium recycle and recovery operations in the plutonium facility at Los Alamos National Laboratory, where exceptionally conservative criticality safety limits are used because no credit is taken for the neutron capture by chlorine. The experiment used weapons-grade plutonium metal plates clad in stainless steel, known as the PANN (plutonium aluminum no nickel) ZPPR (zero power physics reactor) plates. The plutonium was reflected and moderated by high-density polyethylene and included combinations of polyvinyl chloride (PVC) and chlorinated polyvinyl chloride (CPVC) as absorbers. The experiment and benchmark included three configurations mimicking 30 g 239 Pu/L plutonium, 300 g 239 Pu/L plutonium, and 600 g 239 Pu/L plutonium in an aqueous chloride solution. Uncertainties in the benchmark included five broad categories: (1) criticality measurement, (2) mass and density, (3) dimensions, (4) material compositions, and (5) positioning. The largest contribution to the overall uncertainties for all three cases came from the material compositions, in particular the PVC and CPVC absorber compositions. A detailed model was created to be a near match (that is within expectations of transport code users) and a simplified model was created to minimize offset dimensions and expedite modeling for code validation. Sample calculations were completed in MCNP6.3 with ENDF/B-VIII.0 and ENDF/B-VII.1 nuclear data. For the detailed and simplified models, the average difference between the computed and experimental k eff was 951 pcm. CWS will serve as the key validation experiment for nuclear criticality safety in support of aqueous chloride operations. The sensitivity to the chlorine capture cross section is orders of magnitude greater than other existing benchmarks. The current limits, as defined by nuclear criticality safety, are 520 g Pu per batch, i.e. the minimum critical mass of the Pu solution infinitely reflected by water [Criticality Handbook: Volume II, (1969)]. This extremely conservative critical mass limit does not credit any neutron capture by chlorine (in particular neutron capture by 35 Cl) and greatly impedes the throughput required for current and future operations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

The effect of curvature induced broken potential vorticity conservation on drift wave turbulences

Abstract The correlation theory of turbulence suppression (Zhang and Mahajan 1993 Phys. Fluids B5 2000) by velocity shear was constructed by invoking the ansatz of potential vorticity conservation (PVC) that holds for relatively simple (slab) models of drift wave turbulence. It is, therefore, surprising that a detailed modern simulation of the H mode pedestal, using the gyrokinetic code GENE (Hatch et al 2018 Plasma Phys. Control. Fusion 60 084003), found ‘striking agreement’ with the predictions of the analytic model. To understand the reasons for this remarkable agreement, an extended theory that contains finite (magnetic) curvature, and which does not conserve potential vorticity, is developed and ‘solved’ by calculating an inhomogeneous Green function reflecting the fact that the new system has a potential vorticity source. It is, then, demonstrated that the effect of the broken PVC is insignificant for the normal operation parameters in tokamaks; the correction due to curvature is at the order of 2 L 0 / R , where L 0 is the scale length of the local gradient and R is the major radius. The excellent agreement between simulation and slab model 1993 theory is therefore not accidental; the latter can be applied with confidence to the tokamak pedestal.

Physics↗
DOE OSTI2022

Core of 25 F studied by the 25 F(–p) proton-removal reaction

The 9 Be( 25 F(5/2 + ), 24 O)X proton-removal reaction was studied at the NSCL using the S800 spectrometer. The experimental spectroscopic factor for the ground-state to ground-state transition indicates a substantial depletion of the proton d 5/2 strength compared to shell-model expectations, similar to the findings of an inverse-kinematics (p,2p) measurement performed at RIBF. The 25 F to 24 O ground-states overlap is considerably less than anticipated if the core nucleons behaved as rigid, doubly-magic 24 O within 25 F. We interpret the new results within the framework of the Particle-Vibration Coupling (PVC) model, of a d 5/2 proton coupled to a quadrupole phonon of an effective core. This approach provides a good description of the experimental data, requiring an effective 24 O* core with a phonon energy of ℏω 2 = 3.2 MeV and a B(E2) ≈ 2.7 W.u. – softer and more collective than a bare 24 O. Here, both the Nilsson deformed mean field and the PVC models appear to capture the properties of the effective core of 25 F, suggesting that the additional proton polarizes 24 O in such a way that it becomes either slightly deformed or a quadrupole vibrator.

20 ≤ A ≤ 38↗
DOE OSTI2016

TH-CD-206-08: An Anthropopathic Deformable Phantom for Geometric and Dose Accumulation Accuracy Validation of Deformable Image Registration

Purpose: To design and construct a three-dimensional (3D) anthropopathic abdominal phantom for evaluating deformable image registration (DIR) accuracy on images and dose deformation in adaptive radiation therapy (ART). Method: Organ moulds, including liver, kidney, spleen, stomach, vertebra and two metastasis tumors, are 3D printed using the contours from an ovarian cancer patient. The organ moulds are molded with deformable gels that made of different mixtures of polyvinyl chloride (PVC) and the softener dioctyl terephthalate. Gels with different densities are obtained by a polynomial fitting curve which describes the relation between the CT number and PVC-softener blending ratio. The rigid vertebras are constructed by moulding with white cement. The final abdominal phantom is assembled by arranging all the fabricated organs inside a hollow dummy according to their anatomies and sealed with deformable gel with averaged CT number of muscle and fat. Geometric and dosimetric landmarks are embedded inside the phantom for spatial accuracy and dose accumulation accuracy studies. Three DIR algorithms available in the open source DIR toolkit-DIRART, including the Demons, the Horn-Schunck and Lucas-Kanade method and the Level-Set Motion method, are tested using the constructed phantom. Results: Viscoelastic behavior is observed in the constructed deformable gel, which serves as an ideal material for the deformable phantom. The constructed abdominal phantom consists of highly realistic anatomy and the fabricated organs inside have close CT number to its reference patient. DIR accuracy studies conducted on the constructed phantom using three DIR approaches indicate that geometric accuracy of a DIR algorithm has achieved does not guarantee accuracy in dose accumulation. Conclusions: We have designed and constructed an anthropopathic abdominal deformable phantom with satisfactory elastic property, realistic organ density and anatomy. This physical phantom is recyclable and can be used for routine validations of DIR geometric accuracy and dose accumulation accuracy in ART. This work is supported in part by grant from VARIAN MEDICAL SYSTEMS INC, the National Natural Science Foundation of China (no 81428019 and no 81301940), the Guangdong Natural Science Foundation (2015A030313302) and the 2015 Pearl River S&T Nova Program of Guangzhou (201506010096).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

High-Efficiency AlGaAs/GaAs Photovoltaic Converters with Edge Input of Laser Light

High-efficiency photovoltaic converters (PVCs) have been developed and fabricated by liquidphase epitaxy in the AlGaAs–GaAs system with laser light (λ = 850 nm) introduced through the edge surface in parallel to the plane of the p–n junction of the device structure. To raise the efficiency of light “capture” by the p–n junction, an Al{sub x}Ga{sub 1–x}As waveguide layer is formed, in which the content of aluminum gradually varies from x = 0.55 to 0.15 so that the refractive index gradient is created in this layer and light beams are diverted toward the p–n junction. When a PVC (having no antireflection coating) is exposed to 0.1- to 0.2-W laser light, an efficiency of 41.5% is obtained. Depositing an antireflection coating on the edge surface of a PVC raises its efficiency to 55%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Functional Testing of Alternative Bag-Out Bag for PF-4 Implementation

The Department of Energy (DOE) issued DOE M 441.1-1, Nuclear Material Packaging Manual, to protect workers who handle nuclear material from exposure due to loss of containment of stored materials [1]. Currently, the bag-out bags that are used to move material from a glovebox to a long-term storage container are made of a plasticized polyvinyl chloride (PVC) material formed into a bag. In 2015, corrosion was identified during the surveillance of Hagan and SAVY-4000 containers [2]. The corrosion that was identified in storage containers has been attributed to HCl gas generation from radiolytic and thermal degradation of the PVC bag-out bag material [3,4].

36 MATERIALS SCIENCE↗
DOE OSTI2020

Utility of Big Area Additive Manufacturing for Part Production for Low-Head Hydropower (CRADA NFE-18-07280 Final Report)

ORNL worked with Cadens, LLC, to explore the use of additive manufacturing (AM) to produce low-cost parts for low-head hydropower systems. Cadens develops design optimization software that leverages the flexible, low-cost, high-strength benefits of AM and composite materials. Cadens also operates a micro-hydro lab to test AM components in controlled environments. Until now, Cadens’ tests have been limited to components of a size that they can cost-effectively manufacture using local commercial systems. This project provided an opportunity for Cadens to scale up their modular AM hydropower parts using the capabilities of Big Area Additive Manufacturing (BAAM). This project was a success and resulted in the design and fabrication of several end-use parts of a hydropower system, using a Big Area Additive Manufacturing (BAAM) system. The fabricated parts include a draft tube, thimble, runner housing mold, PVC end fitting and two PVC pipe supports. In addition, a runner system was fabricated using fused deposition modeling on a 3D Platform Workbench 400 Series System.

13 HYDRO ENERGY↗
DOE OSTI2024

Utility of Big Area Additive Manufacturing for Part Production for Low-Head Hydropower

ORNL worked with Cadens, LLC to explore the use of additive manufacturing (AM) for the production of low-cost parts for low-head hydropower systems. Cadens develops design optimization software that leverages the flexible, low-cost, high-strength benefits of AM and composite materials, and operates a micro-hydro lab to test AM components in controlled environments. Until now Cadens’ tests have been limited in size to components that they can cost-effectively manufacture using local commercial systems. This project provided an opportunity for Cadens to scale up their modular AM hydropower parts using the capabilities of Big Area Additive Manufacturing (BAAM). This project was a success and resulted in the design and fabrication of several end use parts of a hydropower system using a Big Area Additive Manufacturing (BAAM) system. The fabricated parts include draft tube, thimble, runner housing mold, PVC end fitting and two PVC pipe supports. The components have been in use for more than three years without a 3D printed component failing.

13 HYDRO ENERGY↗
DOE OSTI2025

Interphase Engineering Enabled by Using a Separator with Electrochemically Active Carbazole Polymers for Lithium-Ion Batteries

Separators are generally considered inert components in lithium-ion batteries. In the past, some electroactive polymers have been successfully applied in separator modifications for overcharge protection or as acid scavengers. This study highlights the first use of two “electroactive” carbazole polymers (copolymer 9-phenyl-9H-carbazole-phenyl [PCP] and poly(9-vinylcarbazole) [PVC]), which were each applied separately as coatings on the cathode-facing side of commercial Celgard 2325 separators, respectively, to enhance the cycling performance of 0.3Li 2 MnO 3 ·0.7LiMn 0.5 Ni 0.5 O 2 //graphite (LMR-NM//Gr) full cells through interphase engineering. The team observed an irreversible polymer oxidation process of the carbazole-functionalized polymers—occurring only during the first charge—for the modified separator cells, and the results were confirmed by dQ/dV analysis, cyclic voltammetry measurements, and nuclear magnetic resonance characterizations. During this oxidation, carbazole polymers participate in the process of interphase formation, contributing to the improved cycling performance of LMR-NM//Gr batteries. Particularly, oxidation takes place at voltages of ~4.0 and ~3.5 V when PCP and PVC are used as separator coatings, which is highly irreversible. Further postmortem examinations suggest that the improvements using these modified separators arise from the formation of higher-quality and more inorganic SEI, as well as the beneficial CEI enriched in LixPOyFz. These interphases effectively inhibit the crosstalk effect by reducing TM dissolution.

carbazole↗
DOE OSTI2016

Dewatering Innovations - 16381

The Liquid and Gaseous Waste Operations (LGWO) project, located at the Oak Ridge National Laboratory, handles wastewater from over 600 generators in 200 facilities. LGWO processes these waters, removing radioactive and chemical contaminants prior to discharge to the environment. Through these processes, LGWO generates various sludges that require dewatering prior to transportation. The original process was very inefficient. It involved placing PVC tubing in the bottom of a 90 ft{sup 3} box and sluicing the sludge into the box. Suction was then applied to the PVC tubes to remove water that would settle out of the material. The old process took several evolutions to drain/decant the liquids, which caused unnecessary worker radiation exposure. The moisture content was Near High Moisture content, which presented the possibility that liquids could be released during transport. Due to this fact, disposal costs were very high. Solutions for the 'Old' disposal process were to use liquid-rated Super Sacks, add additional Absorbent and then have the containers evaluated for liquid at TSDRF, prior to final disposal. This paper will describe the innovative packaging that was developed for the processing of these sludges, the ease with which the process was implemented, the versatility of the system and the cost savings associated with the new process. This system can be used in many other water treatment applications and erosion control. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Radionuclide Behaviour During Thermal Treatment of LLW and ILW Using In-Container Vitrification - 19239

Thermal treatment is being considered in the UK for the treatment of a wide range of low and intermediate level wastes (LLW and ILW). To support this objective, a range of in-container vitrification trials were conducted to test a wide range of simulated waste streams. The vitrified products have been visually inspected and samples removed for chemical analysis. This paper presents preliminary results of this analysis with some comment on the spatial and chemical heterogeneity of the products. Treatment of a sludge simulant in a steel skip failed to fully melt the metal and produced a glass encapsulated waste-form with clearly visible porosity. Clinoptilolite produced a dense uniform glass but with some chemical heterogeneity. Some operational issues were encountered when treating water-rich sludge, but these were successfully resolved and resulted in a broadly homogenous vitrified product. Melting simulated mixed decommissioning waste produced a chemically homogenous product, despite the heterogenous nature of the waste stream. Uranium and concrete contained in a steel 'top hat' presented significant treatment issues. The top hat failed to fully melt, and this appears to have prevented the waste contained within the top hat from mixing with the glass external to the top hat. As with the steel skip containing sludge, this again left a glass encapsulated, rather than fully vitrified, product. Attempts to melt bulk PVC (an analogue of soft PCM) initially led to significant operational issues with the melt being terminated early and the waste apparently combusting rather than melting. This was resolved by pre-treating the PVC by shredding it and mixing this with the frit to give a larger contact area for melting. This approach produced a homogenous well mixed glass. Overall it appears the properties of the melt product are highly dependent on the physical and chemical properties of the waste stream being treated. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Reduction of Fire Hazard in Materials for Irrigators and Water Collectors in Cooling Towers

A way of reducing the fire hazard of PVC film used to make cooling-tower irrigators and water collectors is examined. A new generation of fire retardant, nanostructured magnesium hydroxide, is used to impart fire retardant properties. The fabrication technology is optimized with a roller-calendering manufacturing technique, and the permissible ranges of fire hazard indicators for materials in irrigators and water collectors are determined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Mechanical and Thermal Properties of Green Thermoplastic Elastomer Vulcanizate Nanocomposites Based on Poly (vinyl chloride) and Nitrile Butadiene Rubber Containing Organoclay and Rice Straw Natural Fibers

Green thermoplastic elastomer vulcanizates (GTPV) nanocomposites using poly (vinyl chloride) (PVC) and nitrile butadiene rubber (NBR) containing 5 wt% Cloisite 30B as an organoclay and various concentrations of rice straw natural fibers were made by melt mixing process and compression molding. The effect of used organoclay and various loadings of rice straw was monitored through using scanning electron microscopy (SEM), thermogravimetric analysis (TGA), tensile tests and rheological measurements. The morphological investigations revealed that the GTPV nanocomposites reinforced by rice straw natural fiber show a more rough fracture surfaces indicated the existence of some interactions between the natural fiber and polymer matrix. Thermal decomposition measurements revealed a higher thermal stability for GTPV nanocomposites containing higher rice straw natural fibers. The tensile test analysis suggested that there is an optimum value for the weight fraction of rice straw to enhance the Young’s modulus and tensile strength of the prepared GTPV nanocomposites up to 9 MPa and 35 MPa, respectively. The effect of rice straw loading on the Young’s modulus of the PVC/NBR/organoclay GTPV nanocomposites was predicted through using the parallel and series equations of modified Ji’s model. The results show that the theoretical model can precisely predict the variation of Young’s modulus with respect to the rice straw loading.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Assessment of urinary thiodiglycolic acid exposure in school-aged children in the vicinity of a petrochemical complex in central Taiwan

Background: School-aged children living in the vicinity of vinyl chloride (VCM)/polyvinyl chloride (PVC) factories may have an increased risk of exposure to hazardous air pollutants. Objectives: We aimed to evaluate the urinary thiodiglycolic acid (TDGA) level, as TDGA is a major metabolite of VCM, for students at elementary schools near a petrochemical complex in central Taiwan. Methods: We recruited 343 students from 5 elementary schools based on distance to the VCM/PVC factory. First-morning urine and blood samples were obtained from our subjects from October 2013 to September 2014. Urine samples were analyzed for urinary creatinine and TDGA using LC/MS–MS. Hepatitis virus infection were assessed using blood samples. We determined their vitamin consumption, resident location, parent’s employment, and other demographic or lifestyle characteristics using a questionnaire. Results: Median urinary TDGA levels for 316 students at 5 elementary schools from the closest (<.9 km) to the farthest (∼8.6 km) with respect to the petrochemical complex were 147.6, 95.5, 115.5, 86.8, and 17.3 μg/g creatinine, respectively. After adjusting for age, gender, hepatitis virus infection, vitamin B consumption, passive smoking, and home to source distance, we found that urinary TDGA levels for the closest students was significantly higher than those at other schools. Further, median urinary TDGA levels for students during school time were 4.1-fold higher than those during summer vacation. Conclusions: After adjusting for confounders, urinary TDGA levels for the school-aged children decreased with increasing distances between the elementary schools and the petrochemical complex. - Highlights: • We conducted a bio-monitoring survey of students nearby a petrochemical complex. • We measured thiodiglycolic acid (TDGA) as a biomarker of vinyl chloride monomer. • Increased urinary TDGA levels in students nearby a VCM factory was found. • Significantly lower urinary TDGA levels for students on summer vacation was found. • Spatial variation of urinary TGDA in students was found after adjustment.

54 ENVIRONMENTAL SCIENCES↗