bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Digital Presentation)Empirical Methods for Modeling NOx Sensor Performance Errors in Combustion Applications
Authors: Woo Leta , Rash Tyler 
Published: November 2022

Combustion technologies require gas sensors for monitoring and controlling the exhaust and to meet increasingly stringent environmental regulations. NOx compounds (NO and NO2) in diesel exhaust can lead to poor air quality and act as both pollutants and greenhouse gases. Aftertreatment strategies have been developed to mitigate NOx and usually require information about the NOx sensor output. The design and operation of aftertreatment strategies rely on an understanding of sensor behavior and deviations. However, sensor specifications provided by suppliers typically only reflect the minimum requirements necessary to meet basic application needs. Supplier information about sensor performance can therefore be too general whereas more detailed information could allow more flexibility and potentially cost savings during early development of the overall aftertreatment system and strategy.
The approach and application of a methodology for predicting nominal sensor output and standard deviation is presented. The prediction is in the form of an empirical NOx sensor performance model that relies on experimental data for a specified population of sensors. Inputs include the concentration of exhaust components (e.g., NO, NO2, O2, etc.), physical state (e.g., temperature, pressure, etc.), as well as additional information about sensor condition and location (e.g., as-received brand-new sensors, tailpipe position, etc.). The output would be a dynamic real-time estimate for the NOx sensor broadcast signal and standard deviation for the defined population. Experimental data are primarily collected using a laboratory high-flow test bench that simulates exhaust conditions.
We present an approach that includes understanding exhaust conditions to determine the initial factors of interest as well as reasonable ranges of values for those factors. We then investigate the correlation of the factors with the measured error of the NOx sensor broadcast value using a design of experiments (DOE) response surface methodology (RSM) with ten factors. The population was defined as nine as-received brand-new NOx sensors tested simultaneously in the laboratory high-flow test bench. Least squares fitting with a linear regression model seemed to adequately describe the correlation of mean sensor signal shifts with changes in the ten factors. Methods for validation of the model and planned next steps are discussed.
Antimony Nanobelt Asymmetric Membranes for High Capacity Sodium Ion Battery Anodes
Authors: DiCesare Jake , Wu Ji , Williams Logan , Sheppard Olivia 
Published: November 2022

The standard lithium-ion battery (LIB) using graphite electrodes has become exceedingly important in today’s world. Everything from electric cars to solar energy storage systems need these batteries, and the capabilities and progress of these devices rely on the steady advancement of battery technology. However, lithium is a scarce resource and is projected to run out with the ever-increasing demand we are placing on it. For this reason, we are investigating sodium ion batteries (SIB) as an alternative to LIB.
While many methods have been studied to improve SIB capacities and lifespans, our method stands out by using antimony nanobelts incorporated into an asymmetric membrane structure as a high performance anode material for SIB due to its theoretical capacity of 660 mAh g-1 compared to hard carbon-based SIB (300 mAh g-1). In addition to the asymmetric membrane structure, we use a carbon coating around the membrane which can further improve performance and stability. Embedding these group V nanomaterials within an asymmetric membrane structure coated in carbon will accommodate the large volume expansion of Sb-based SIB anode, enhance mechanical strength, and prevent rapid capacity loss due to leaching of cracked materials.
Herein, we demonstrate that the capacity and the cycling performance of SIB can be significantly improved over not only current SIB but also LIB. Preliminary results indicate that Sb nanobelts incorporated into an asymmetric membrane exhibit increased performance as a sodium-ion battery anode compared to Sb nanoparticle membranes, furthermore, dip coating the asymmetric membranes with a carbon based solution increases both capacity and cycling performance compared to membranes with no extra carbon coating. The batteries made using the dip coated Sb nanobelt asymmetric membranes show a specific capacity between 630 and 650 mAh g-1 with a capacity retention of 99.4 percent over 45 cycles and an initial capacity loss of only 14 percent. In addition to electrochemical tests, we have also characterized the samples using scanning electron microscopy, energy dispersive x-ray spectroscopy, thermal gravimetric analysis, powder x-ray diffraction spectroscopy, and RAMAN spectroscopy to identify and quantify the materials in the membranes and starting materials. Using these characterizations, we were able to confirm the chemical composition and morphology of the Sb and C in our membranes. Thereby a scalable and cost-effective method of increasing capacity of NIB, while maintaining relatively good life cycle longevity has been developed by our research laboratory.
“Water-in-Salt” and Nasicon Electrolyte-Based Na-CO2 Battery
Authors: Im Eunmi , Baek Kyungeun , Park Jaehyun , Seo HoJun , Kang Seok Ju , Moon Geon Dae 
Published: November 2022

Super concentrated electrolytes, referred to as “water-in-salt (WiS) electrolytes”, have been received attention due to their wide electrochemical stability window, cost-effectiveness, and non-flammability. However, the free water molecules present in WiS electrolytes prevent the use of Na-metal as the anode for Na-gas batteries.
In this study, we develop a Na-CO2 battery with WiS and Na-super-ionic conductor (NASICON) electrolytes that were used as energy storage cells and CO2 gas utilization. The NASICON separator allowed us to fabricate a hybrid Na-CO2 battery comprising Na metal as the anode material and WiS as the cathode electrolyte without damage of Na metal. Additionally, linear sweep voltammetry (LSV) with corresponding differential electrochemical mass spectroscopy (DEMS) measurements rendered the direct observation of H2 evolution retardation with increasing WiS concentration. Furthermore, we introduced a nano-sized Ru catalyst onto the current collector using Joule heating method for reducing the overpotential gap. Consequently, the Na-CO2 batteries with Ru@carbon current collector reduced the overpotential gap and exhibited a cycling endurance of over 75 cycles.
Title: Static Cell and Porous Electrode Model for Cycling Behavior of Aqueous Organic Redox Active Materials
Authors: Sosa Jordan D. , Aziz Michael 
Published: November 2022

Aqueous Organic Redox Flow Batteries (AORBs) have shown growing potential as a stationary energy storage technology for regulating intermittent renewable sources. For long charge/discharge duration systems, the capital cost of a redox flow battery asymptotically approaches the cost of the electroactive material.[i] Therefore, for commercialization of this technology, proper evaluation of the redox active electrolytes is needed. The capacity retention over time and over cycling is one of the most vital criteria for evaluation. For very stable electrolytes with fade rates less than about 10% per year, disentangling cycle-denominated and time-denominated fade can be very difficult for flow batteries due to longer cycle time and noise due to pumping and splashing. Thus, we have used a sealed, static, non-flow cell to achieve capacity measurements with greater cycling frequency and reduced noise, as shown in Figure 1. To isolate decomposition from crossover through the membrane or apparent capacity fade due to changes in the resistance of the cell, we use volumetrically unbalanced, compositionally symmetric cells with potentiostatic cycling.[iii]

For proper capacity fade rate evaluation, material properties of the electrode and electrolyte should be considered when setting up cycling protocols because the amount of accessed charge depends on these properties. Thus, simulations from porous electrode models that consider these material properties can inform appropriate cycling conditions.
Using Newman’s porous electrode theory[iv] to model our static cell, we have simulated the spatial distribution of ions and potentials over time in response to time-varying applied potentials. From the transient behavior, we simulated the potentiostatic cycling of these cells. The simulations show how the physics inside porous electrodes and cycling performance depend on material properties. For example, the diffusivities can affect the spatial distributions of ions across a porous electrode, as shown in Figure 2 (left), as well as the minimum acceptable time for cycling and the accessed capacity for given cycling parameters, as shown in Figure 2 (right). Using the same porous electrode model for simulations, we aim to show differences between apparent and real capacity fade.

[i] F. R. Brushett, M. J. Aziz, and K. E. Rodby. ACS Energy Lett. 2020, 5, 879−884

[ii] D. G. Kwabi, Y. Ji, and M. J. Aziz. C
hem. Rev. 2020, 120, 14, 6467–6489

[iii] M.A. Goulet and M. J. Aziz, “Flow Battery Molecular Reactant Stability Determined by Symmetric Cell Cycling Methods”. Journal of The Electrochemical Society, 165 (7) A1466-A1477 (2018)

[iv] J. Newman and C. W. Tobias, J. Electrochem. Soc., 1962, 109, 1183

Figure 1
Mixed Metal Cathodes for CO2 Electroreduction Using Solid Oxide Electrodes
Authors: Kamboj Vipin , Ranjan Chinmoy 
Published: November 2022

Electroreduction of CO2 to fuels through the use of renewable energy provides a beneficial route and it decreases the reliance on fossil fuels. The electrochemical reduction of CO2 to hydrocarbon fuels (CHx) is highly energy inefficient owing to kinetic limitations which are a direct consequence of multistep-multielectron transfer process. The selective formation of CO from CO2 is energy efficient. CO thus formed, serves as a valuable source of energy as it can be directly used as a fuel. Moreover, it can be further converted into hydrocarbon fuels via Fischer-Tropsch reactions using green hydrogen. We hereby propose Ni(M)x/YSZ based electrodes for electroreduction of CO2 on solid oxide cells at high temperature (~800∘C). Electrodes were fabricated on commercial standard YSZ supports using Ni(M)x/YSZ and LSM/YSZ mixtures which were respectively employed as materials for that cathode and anode. Characterisation of the developed electrode architecture was carried out via electron microscopy and X ray diffraction.
The behaviour of electrodes during CO2 electrolysis was analysed through online mass spectrometry and operando Raman spectroscopy. Ni/YSZ electrodes displayed sustained performance only upon the addition of H2 to the fuel mixture. The reaction progressed through a reverse water gas shift reaction (RWGS) (CO2 + H2 à CO + H2O) along with water electrolysis where CO originates from non-electrochemical RWGS reaction.
Electrochemical impedance spectroscopy was employed to analyse the reactions. Three electrode assembly was used to compare the electrochemical performance of the various electrodes. The pure Ni/YSZ cathodes showed deactivation under pure CO2 atmosphere. Mixed metal oxide electrodes such as Ni(M)x exhibit enhanced performance for CO2 electrolysis in both pure CO2 as well as in the presence of 5% H2. Catalytic performance of the electrodes was evaluated by varying fuel mixtures composition and temperature. Kinetics of electrode performance were evaluated using distribution of relaxation time formalism. Mixed metal oxide such as Ni(M)x showed improved kinetic with significant improvement in charge transfer resistance.

Figure 1
Integrated Method of Pretreatment, Saccharification and Electro-Fermentation of Saccharum Spontaneum to Produce Bioethanol Using Microbial Consortium
Authors: Dhungana Pradip , Rajbhandari Jarina 
Published: November 2022

Production of lignocellulosic ethanol using microbial consortium can be an economical strategy. Consortium of ligninolytic and cellulolytic microbe(s) that can depolymerize lignin and hydrolyze cellulose along with fermenting yeast (CDBT-2) can replace the separate techniques used for biomass pretreatment and hydrolysis prior to fermentation. So, the aim of this study was to screen fungi capable of producing laccase (lignin depolymerizing enzyme) and cellulase (converts cellulose to fermentable sugars), and use the strains along with Saccharomyces cerevisiae (CDBT-2) to develop an integrated method of simultaneous pretreatment saccharification and electro-fermentation of Saccharum spontaneum powder to produce ethanol. 18-s rRNA sequencing and BLAST analysis of screened isolates confirmed, cellulolytic isolate (F1) resembled as Aspergillus niger and, ligninocellulolytic isolate (F2) resembled to Ganoderma sessile. These fungi were used along with CDBT2 for ethanol production. Different consortiums sets of these isolates were tested for fermentation efficiency. All the analysis were done using crude untreated as well as hot water pretreated S. spontaneum powder to compare the ethanol production efficiency. In controlled environment of 28oC, shaking at 80 rpm and 5.0 pH, culture with consortium of G. sessile and CDBT2 produced higher ethanol with yield 57 mg/g biomass powder followed by consortium of G. sessile, A. niger and CDBT2 with yield of 44±0.18 mg/g biomass. Monoculture of G. sessile produced higher amount of phenol ie 292.48±17.74 µg/mL. Similarly, G. sessile, A. niger and CDBT2 consortium produced higher furfural of 58.48±3.86 µg/mL. However, the amount of phenol and furfural generated were very low in both cases. The ethanol yield was higher in crude biomass compared to hot water pretreated S. spontaneum powder. In addition, electro-fermentation of crude S. spontaneum enhanced ethanol production by 12% with G. sessile and CDBT2 consortium while 18% with the set of G. sessile, A. niger and CDBT2 consortium. This monophasic method of integrated pretreatment saccharification and electro-fermentation can be an alternative approach for lignocellulosic bioethanol production as it does not require separate pretreatment and fermentation approach.
Keywords: Bioethanol, Saccharum
spontaneum, microbial consortium, simultaneous saccharification and fermentation, and electro-fermentation

Figure 1
Reaction Pathways for the Electrochemical Synthesis of KA Oil from Cyclohexane
Authors: Siboonruang Tana , Negrete Karla 
Published: November 2022

Recent decreases in the cost of electricity from both renewable and non-renewable sources and limitations of fossil fuel resources have bolstered interest in producing commodity chemicals using electrochemistry. Electrosynthesis offers promising alternatives to thermochemical processes, because they do not typically require extreme temperature and pressure. In addition, electric current can be used to replace dangerous reducing and oxidizing agents used in traditional organic chemistry. Electrosynthesis has been demonstrated as a possible pathway for partial oxidation of alkanes, which contain extremely inert C-H bonds.
A major challenge in nylon 6,6 manufacturing is cyclohexane conversion to KA oil, a mixture of cyclohexanone and cyclohexanol. In the current industry, this process suffers from low cyclohexane conversion and pressure requirements. Although cyclohexane electrochemical oxidation to KA oil has been demonstrated in literature, the mechanism by which this occurs is still poorly understood.
In this work, we demonstrate KA oil production through cyclohexane electrochemical oxidation in organic electrolytes. Using chronoamperometry, we identify the oxygen source (oxygen gas vs. water) for this reaction. In addition, we show that the cathodic counter reaction can influence cyclohexane conversion to KA oil and should be accounted for in mechanistic experiments. Based on literature, side product analysis, and electroanalytical methods, we propose a reaction pathway for electrochemical cyclohexane conversion to KA oil.
UV-vis Spectroelectrochemical In situ Study During the Electrochemical Oxidation of 2-Thiazolamine and 2-Oxazolamine
Authors: Herrera Julian Hernández , Morales Jimmy , Gómez Lara Kevin Steven , Collazos Reina Jhon Jairo , Avendaño Alvaro J , Dector Andrés 
Published: November 2022

Oxazoles and thiazoles are useful organic compounds in the pharmaceutical industry and agricultural chemistry. For example, the aminothiazole heterocycle system is a useful structural element in medical chemistry and has found wide applications. [1] In previous studies, our group has reported that he electroactivity of 2-aminothiazole and 2-aminooxazole derivate resides on the primary amine group in C-2 position in thiazolic and oxazolic ring respectively and the electron donor ability is mainly governed by 2-aminothiazole and 2-aminooxazole chemistry. [2] Preliminary results, however, have not described or reported the electrochemical behavior of these heterocyclic compounds using in situ coupled techniques. One of the most interesting tools in the characterization of materials is the spectroscopy in the UV-Vis region, because it gives an idea of the compounds present. [3] This interesting technique has been coupled to electrochemicals methods, giving the possibility to in-situ information.
In this work, the electrochemical oxidation of 2-Thiazolamine and 2-Oxazolamine is performed utilizing cyclic voltammetry purely electrochemical technique, coupled to UV-vis spectroscopy in situ. The UV–Vis spectra were collected simultaneously while potentiostatic electrolysis was performed. Cyclic voltammetry was carried out using a PalmSens4 potentiostat and Spectroelectrochemical experiments were performed using a quartz curvet of 1 cm path length by placing a commercial screen-printed electrode (IS-1, Italsens), which included a three-electrode configuration printed on the same strip. The preliminary results show the important information provided by UV-Visible spectroscopy coupled with electrochemical techniques.
Bibliographic

Yichao Wan, Jiabing Long, Han Gao, Zilong Tang, 2021, Eur. J. Med. Chem 210, 15, 112953

J A Morales-Morales, A F Villamarin, E Florez-López, J J Rios-Acevedo, 2018 Phys.: Conf. Ser. 1119 012006

Noelia González-Diéguez, Alvaro Colina, Jesús López-Palacios, and Aránzazu Heras 2012, Chem. 84, 21, 9146–9153
A Review on Digitalization Approaches for Battery Manufacturing Processes
Authors: Dermenci Kamil Burak , Dammala Pradeep Kumar , Yadav Poonam , Kathribail Anish Raj , Van Mierlo Joeri , Berecibar Maitane 
Published: November 2022

Lithium ion batteries (LiBs) continue to be the most advanced technology in the battery systems as the world rushes to meet the diverse and expanding demands of the energy storage solutions. Research institutions, academia and industries requires a safer, high-performance and cheaper LiBs to accelerate the transition from oil-based to an electrical-based economy. Because of some interdependent electrochemical kinetics involved in the LiB chemistry, and time it takes for the fabrication process it became one of the challenging aspects in this modern day life as it is time consuming and needs to be updated with upcoming materials and methodologies[1]. To overcome these challenges quickly, introduction of digital tools [2] which can optimize the parameters of making LiBs are being researched and are trying to implement them in the battery manufacturing industry. Typically, the state of art manufacturing of batteries is a sequence of intermittent steps like slurry preparation, coating and drying, electrode cutting, calendaring, stacking pouch cell formation, electrolyte filling, sealing and mechanical and electrochemical testing which have to be precisely controlled and optimize each dependent parameters carefully and reorganize them for the fabrication to adopt to new systems which takes a lot of effort and machine handling for new innovative battery technologies. Automation of this manufacturing process with Artificial Intelligence (AI), Machine learning(ML) or Internet of Things (IoT) is the new way of approach [3]. These approaches can help the research and battery manufacturing plants to meet the demands of cost effectiveness, sustainability, time needs and scalability. Digitalization of these techniques on one hand can reduce the time to market and provide a profitable manufacturing and on the other hand it can guide the cell prototyping and advanced cell chemistry to the new manufacturing tools in the virtual way. Thus the designing tools cost, prototyping cost also can be reduced. The abstract reviews both experimental and computational approach to undergo smooth transition in the battery manufacturing process.
References

Witt, D. et al. Myth and Reality of a Universal Lithium-Ion Battery Electrode Design Optimum: A Perspective and Case Study. Energy Technol.
9, (2021).

Ramakrishna, S., Khong, T. C. & Leong, T. K. Smart Manufacturing. Procedia Manuf.
12, 128–131 (2017).

dos Reis, G., Strange, C., Yadav, M. & Li, S. Lithium-ion battery data and where to find it. Energy AI
5, (2021).
A Low Cost and Scalable Approach for Coating Cathode Materials
Authors: Sharma Jaswinder , Li Jianlin 
Published: November 2022

High voltage (e.g., LNMO) and high capacity (e.g., NMC) cathode materials are highly desirable for achieving high energy density batteries. However, most of these cathode materials participate in parasitic reactions with electrolyte components. These reactions decrease the cyclic stability and capacity of these cathode materials, and thus lower their attractiveness. These parasitic reactions can be minimized by applying a thin coating of oxide materials such as silica or zirconia. Silica coating on cathode materials is highly desirable because of its low cost and high electrochemical stability. Several methods including ball milling of silica particles with cathode powder, sol-gel deposition of silica using protic solvents (e.g., ethanol and ammonium hydroxide) has been explored. However these methods have their own limitations, for example, ball milling based method provides incomplete coating formation, and the use of protic solvents such as ethanol and ammonium hydroxide in sol-gel silica deposition results in leaching of Li+ ions out of the cathode materials. Leaching of Li+ out of cathode particles results in lowered capacity of coated cathode materials. Therefore obtained coated cathode materials generally have a lower capacity than the uncoated cathode materials. Therefore, there is a need of a low cost method that provides a uniform coating but without leaching out the Li+ ions or compromising with the mechanical integrity of the cathode particles.
In the present work, we demonstrate a low cost and scalable method that provides very thin coatings of oxide materials but without compromising with the capacity and mechanical properties of the cathode material. Coating presence was confirmed by using transmission electron microscope (TEM), energy dispersive X-rays (EDX), and X-ray photoelectron spectroscopy (XPS). Preliminary, results showed that the cells having coated cathodes have better cyclic stability when compared to the cells made of uncoated cathode materials.
This research is funded by DOE’s Vehicle Technologies Office by Program Manager Dr. Changwon Suh.