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At least 55 records · Page 3

The Cell Utilized Partitioning Model as a Predictive Tool for Optimizing Counter-Current Chromatography Processes

Counter-current chromatography (CCC) is capable of unique elution modes that isolate analytes using the movement of the stationary phase in addition to moving the mobile phase. These modes include elution-extrusion CCC (EECCC) and dual-mode CCC (DM CCC) that are not possible in traditional solid-liquid chromatography systems. Although EECCC and DM CCC are widely used to recover highly retained components, to our knowledge, optimizing the elution process in these modes with predictive models has not been reported. To address this gap, we developed a predictive model for CCC dubbed the Cell Utilized Partitioning (CUP) model. The CUP model accurately predicts the effluents of multicomponent separations in EECCC and DM CCC modes when compared to experimental data. Furthermore, CUP model simulations were extended to investigate the influence of operating and intrinsic parameters on the yield and productivity, and to compare the separation performances of EECCC and DM CCC in various conditions. The results demonstrate that low distribution constants, usually a KD less than 1, and a selectivity > 1.3, under specific flowrate ranges, increase both productivity and yield. From these results, generalized optimization and scaleup guidelines are proposed that can apply to research settings and to industrial processes to maximize preparative CCC performance.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

Evaluating the Utility of Permethylated Polysaccharide Solution NMR Data for Characterization of Insoluble Plant Cell Wall Polysaccharides

Plant cell wall polysaccharide analysis encompasses the utilization of a variety of analytical tools, including gas and liquid chromatography, mass spectrometry (MS), and nuclear magnetic resonance (NMR) spectroscopy. These methods provide complementary data, which enable confident structural proposals of the many complex polysaccharide structures that exist in the complex matrices of plant cell walls. However, cell walls contain fractions of varying solubilities, and a few techniques are available that can analyze all fractions simultaneously. We have discovered that permethylation affords the complete dissolution of both soluble and insoluble polysaccharide fractions of plant cell walls in organic solvents such as chloroform or acetonitrile, which can then be analyzed by a number of analytical techniques including MS and NMR. In this work, NMR structure analysis of 10 permethylated polysaccharide standards was undertaken to generate chemical shift data providing insights into spectral changes that result from permethylation of polysaccharide residues. This information is of especial relevance to the structure analysis of insoluble polysaccharide materials that otherwise are not easily investigated by solution-state NMR methodologies. The preassigned NMR chemical shift data is shown to be vital for NMR structure analysis of minor polysaccharide components of plant cell walls that are particularly difficult to assign by NMR correlation data alone. With the assigned chemical shift data, we analyzed the permethylated samples of destarched, alcohol-insoluble residues of switchgrass and poplar by two-dimensional NMR spectral profiling. Thus, we identified, in addition to the major polysaccharide components, two minor polysaccharides, namely, <5% 3-linked arabinoxylan (switchgrass) and <2% glucomannan (poplar). In particular, the position of the arabinose residue in the arabinoxylan of the switchgrass sample was confidently assigned based on chemical shift values, which are highly sensitive to local chemical environments. Furthermore, the high resolution afforded by the 1H NMR spectra of the permethylated switchgrass and poplar samples allowed facile relative quantitative analysis of their polysaccharide composition, utilizing only a few milligrams of the cell wall material. As a result, the concepts herein developed will thus facilitate NMR structure analysis of insoluble plant cell wall polysaccharides, more so of minor cell wall components that are especially challenging to analyze with current methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Schottky barrier height measurements of Cu/Si(001), Ag/Si(001), and Au/Si(001) interfaces utilizing ballistic electron emission microscopy and ballistic hole emission microscopy

The Schottky barrier heights of both n and p doped Cu/Si(001), Ag/Si(001), and Au/Si(001) diodes were measured using ballistic electron emission microscopy and ballistic hole emission microscopy (BHEM), respectively. Measurements using both forward and reverse ballistic electron emission microscopy (BEEM) and (BHEM) injection conditions were performed. The Schottky barrier heights were found by fitting to a linearization of the power law form of the Bell-Kaiser BEEM model. The sum of the n-type and p-type barrier heights are in good agreement with the band gap of silicon and independent of the metal utilized. The Schottky barrier heights are found to be below the region of best fit for the power law form of the BK model, demonstrating its region of validity.

36 MATERIALS SCIENCE↗

Band Excitation Kelvin probe force microscopy utilizing photothermal excitation

A multifrequency open loop Kelvin probe force microscopy (KPFM) approach utilizing photothermal as opposed to electrical excitation is developed. Photothermal band excitation (PthBE)-KPFM is implemented here in a grid mode on a model test sample comprising a metal-insulator junction with local charge-patterned regions. Unlike the previously described open loop BE-KPFM, which relies on capacitive actuation of the cantilever, photothermal actuation is shown to be highly sensitive to the electrostatic force gradient even at biases close to the contact potential difference (CPD). PthBE-KPFM is further shown to provide a more localized measurement of true CPD in comparison to the gold standard ambient KPFM approach, amplitude modulated KPFM. In conclusion, PthBE-KPFM data contain information relating to local dielectric properties and electronic dissipation between tip and sample unattainable using conventional single frequency KPFM approaches.

36 MATERIALS SCIENCE↗

Learning from Five-year Resource-Utilization Data of Titan System

Titan was the flagship supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). It was deployed in late 2012, became the fastest supercomputer in the world and was retired on August 2, 2019. With Titan's mission complete, this paper provides a first-order examination of the usage of its critical resources (CPU, Memory, GPU, and I/O) over a five-year production period (2015-2019). In particular, we show quantitatively that the majority of CPU time was spent on the large-scale jobs, which is consistent with the policy of driving ground-breaking science through leadership computing. We also corroborate the general observation of the low CPU-memory usage with 95% jobs utilizing only 15% or less available memory. Additionally, we correlate the increase of total job submissions and the decrease of GPU-enabled jobs during 2016 with the GPU reliability issue which impacted the large-scale runs. We further show the surprising read/write ratio over the five-year period, which contradicts the general mindset of the large-scale simulation machines being “write-heavy”. This understanding will have potential impact on how we design our next-generation large-scale storage systems. We believe that our analyses and findings are going to be of great interest to the high-performance computing (HPC) community at large.

Wang, Feiyi↗

LeTID-Affected Cells from a Utility-Scale Photovoltaic System Characterized by Deep Level Transient Spectroscopy

Photovoltaic modules from a utility-scale field experienced power loss by light- and elevated temperature-induced degradation (LeTID). Samples of one of the affected monocrystalline silicon cells were cored and extracted from the module packaging and encapsulation. One of the cell fragments was processed using a regeneration cycle of applying short-circuit-rated current in forward bias at 85 degrees C for 2 weeks, while the other fragment was kept in its outdoor-degraded LeTID state. Both samples were scribed to form 2-mm diameter isolated areas using a femtosecond-pulse-width laser micromachining system. Both isolated areas contained front grid line segments which were wire bonded to larger contact pads, and the samples were probed in a cryostat linked to a deep-level transient spectroscopy (DLTS) system. Using DLTS, a majority-carrier, hole-trap defect was detected on each sample with an activation energy of 0.42 eV. The LeTID-degraded sample, however, had a larger signal corresponding to a trap density of 1.1x10^13 cm-3, which was about five times larger than the 2.1x10^12 cm-3 trap density of the regenerated sample.

charge carrier lifetime↗

A High-Density, High-Efficiency, Isolated On-Board Vehicle Battery Charger Utilizing Silicon Carbide Power Devices

This paper presents an isolated on-board vehicular battery charger that utilizes silicon carbide (SiC) power devices to achieve high density and high efficiency for application in electric vehicles (EVs) and plug-in hybrid EVs (PHEVs). The proposed level 2 charger has a two-stage architecture where the first stage is a bridgeless boost ac-dc converter and the second stage is a phase-shifted full-bridge isolated dc-dc converter. The operation of both topologies is presented and the specific advantages gained through the use of SiC power devices are discussed. The design of power stage components, the packaging of the multichip power module, and the system-level packaging is presented with a primary focus on system density and a secondary focus on system efficiency. In this work, a hardware prototype is developed and a peak system efficiency of 95% is measured while operating both power stages with a switching frequency of 200 kHz. A maximum output power of 6.1 kW results in a volumetric power density of 5.0 kW/L and a gravimetric power density of 3.8 kW/kg when considering the volume and mass of the system including a case.

Whitaker, B↗

Financial impacts of net-metered PV on utilities and ratepayers: A scoping study of two prototypical U.S. utilities

Deployment of customer-sited photovoltaics (PV) in the United States has expanded rapidly in recent years, driven in part by public policies premised on a range of societal benefits that PV may provide. With the success of these efforts, heated debates have surfaced in a number of U.S. states about the impacts of customer-sited PV on utility shareholders and ratepayers, and such debates will likely become only more pronounced and widespread as solar costs continue to decline and deployment accelerates. To inform these discussions, we performed a scoping analysis to quantify the financial impacts of customer-sited PV on utility shareholders and ratepayers and to assess the potential efficacy of various options for mitigating those impacts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Prospects of hydrogen cogeneration and carbon dioxide utilization in electrochemical refineries for ethylene production via oxidative coupling of methane: A techno-economic assessment

Ethylene is recognized as one of the most significant chemicals globally. The projected ethylene production for 2023 stands at 227.6 million tonnes, with expectations of continued demand growth. The primary use of ethylene, accounting for over 76%, lies in the production of plastics such as polyethylene, polyvinyl chloride, and polystyrene. Despite the enduring carbon retention potential of plastics themselves, traditional ethylene feedstock production from fossil resources contributes substantially to greenhouse gas emissions, ranging from 0.29 to 2.29 kg CO2 /kg Ethylene depending on various factors like feedstock and process design. Various decarbonization strategies, including the utilization of hydrogen as a primary heat source, have been proposed to reduce the carbon footprint of ethylene production, but their efficacy remains limited, offering at best a 0–30% reduction in on-site CO 2 emissions.

09 BIOMASS FUELS↗

New Switches for Utility-Scale Inverters: First In-Class Demonstration of a Completely New Type of SiC Bipolar Switch (15kV-20kV) for Utility-Scale Inverters

Solar ADEPT Project: The SiCLAB is developing a new power switch for utility-scale PV inverters that would improve the performance and significantly reduce the size, weight, and energy loss of PV systems. A power switch controls the electrical energy flowing through an inverter, which takes the electrical current from a PV solar panel and converts it into the type and amount of electricity that is compatible with the electric grid. SiCLAB is using silicon carbide (SiC) semiconductors in its new power switches, which are more efficient than the silicon semiconductors used to conduct electricity in most conventional power switches today. Switches with SiC semiconductors can operate at much higher temperatures, as well as higher voltage and power levels than silicon switches. SiC-based power switches are also smaller than those made with silicon alone, so they result in much smaller and lighter electrical devices. In addition to their use in utility-scale PV inverters, SiCLAB’s new power switches can also be used in wind turbines, railways, and other smart grid applications.

ARPA-E↗

Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them

Utility-scale solar projects have grown rapidly in number and size over the last few years, driven in part by strong renewable portfolio standards (RPS) and federal incentives designed to stimulate investment in renewable energy technologies. This report provides an overview of such policies, as well as the project financial structures they enable, based on industry literature, publicly availabledata, and questionnaires conducted by the National Renewable Energy Laboratory (NREL).

14 SOLAR ENERGY↗

SU-E-J-254: Utility of Pinnacle Dynamic Planning Module Utilizing Deformable Image Registration in Adaptive Radiotherapy

Purpose For certain highly conformal treatment techniques, changes in patient anatomy due to weight loss and/or tumor shrinkage can result in significant changes in dose distribution. Recently, the Pinnacle treatment planning system added a Dynamic Planning module utilizing Deformable Image Registration (DIR). The objective of this study was to evaluate the effectiveness of this software in adapting to altered anatomy and adjusting treatment plans to account for it. Methods We simulated significant tumor response by changing patient thickness and altered chin positions using a commercially-available head and neck (H and N) phantom. In addition, we studied 23 CT image sets of fifteen (15) patients with H and N tumors and eight (8) patients with prostate cancer. In each case, we applied deformable image registration through Dynamic Planning module of our Pinnacle Treatment Planning System. The dose distribution of the original CT image set was compared to the newly computed dose without altering any treatment parameter. Result was a dose if we did not adjust the plan to reflect anatomical changes. Results For the H and N phantom, a tumor response of up to 3.5 cm was correctly deformed by the Pinnacle Dynamic module. Recomputed isodose contours on new anatomies were within 1 mm of the expected distribution. The Pinnacle system configuration allowed dose computations resulting from original plans on new anatomies without leaving the planning system. Original and new doses were available side-by-side with both CT image sets. Based on DIR, about 75% of H and N patients (11/15) required a re-plan using new anatomy. Among prostate patients, the DIR predicted near-correct bladder volume in 62% of the patients (5/8). Conclusions The Dynamic Planning module of the Pinnacle system proved to be an accurate and useful tool in our ability to adapt to changes in patient anatomy during a course of radiotherapy.

60 APPLIED LIFE SCIENCES↗

Preparing Distribution Utilities for Utility-Scale Storage and Electric Vehicles: A Novel Analytical Framework

Emerging distributed energy resources (DERs)—such as solar photovoltaics (PV), battery energy storage systems (BESS), and electric vehicles (EVs)—are expected to increase substantially in India in the coming years following policy-driven targets of the Government of India to modernize its electricity system, reduce greenhouse gas emissions (GHGs), and improve air quality. These emerging technologies can pose challenges to distribution utilities, forcing overhauls in planning and operational practices. They can also create challenges in power system infrastructure planning and cause more frequent system operational violations (e.g., network voltage bounds and loading thresholds) if not properly integrated. The impacts on the localized power distribution grid from these emerging technologies manifest in increased infrastructure investments and erratic shifts in demand patterns. These impacts are not yet well understood, and analytic solutions are not readily available. To address these challenges, the National Renewable Energy Laboratory (NREL), in collaboration with BSES Rajdhani Power Ltd. (BRPL), developed an advanced power distribution system impact analysis framework of BRPL’s distribution system. This framework helps analyze the readiness of the power distribution network to accommodate emerging technologies and the potential opportunities they might introduce. The framework has been predominantly set up to evaluate distributed PV, BESS, and EVs. In this collaboration between NREL and BRPL, we developed and evaluated the framework on two distribution feeders in the BRPL territory for various scenarios of BESS and EVs. BESS are evaluated for their effectiveness on the grid to mitigate present and future feeder overloading scenarios, and they are subsequently analyzed for their costs compared to the costs of traditional upgradation measures. Scenarios include assessing the effects of EV density on grid infrastructure upgrades and interlinking EV management with BESS integration.

24 POWER TRANSMISSION AND DISTRIBUTION↗