bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ X-Ray Absorption Spectroscopy of Lithium-Sulfur Battery Discharge/Charge Reaction Mechanisms
Authors: Wujcik Kevin , Pascal Tod , Prendergast David , Balsara Nitash P. 
Published: February 2020

A necessity to the development of more efficient lithium-sulfur batteries is an understanding of the redox pathways through which soluble Li2Sx reaction intermediates are formed. Spectroelectrochemical studies of the charge/discharge reaction pathways have been complicated by difficulties faced in the assignment of Li2Sx reaction intermediates to spectral peaks. The development of spectroscopic techniques that can clearly differentiate Li2Sxmolecules and be used to perform in-situ studies of Li-S cell chemistry has become an important focus of Li-S battery research.
It has recently been shown that X-ray absorption spectroscopy (XAS) at the sulfur K-edge may be used to speciate Li2Sx molecules of different ‘x’ values.1-4 In this work, in situ XAS of Li-S cell cathodes will be used to probe cell cathodes during charge/discharge. Collected spectra provide full speciation of sulfur throughout charge/discharge processes and reveal the pathway through which polysulfide species are formed. Li-S cells consist of a PEO-based polymer electrolyte and thin film cathodes, employed to mitigate effects of X-ray overabsorption. Interpretation of collected spectra is achieved using a principal component analysis. Theoretical X-ray spectra obtained using first-principles molecular dynamics and spectral simulations of lithium polysulfides dissolved in tetraethylene glycol dimethyl ether (TEGDME) provide further support for spectral interpretation. The molecular origins of observed spectral features are elucidated.

References

(1) Wujcik, K. V., J.; Wu, C.; Pascal, T.; Marcus, M.; Cabana, J.; Prendergast, D.; Guo, J.; Salmeron, M.; Balsara, N.P. Manuscript in Preparation
2014.
(2) Pascal, T. W., K.; Velasco-Velez, J.; Wu, C. H.; Teran, A.; Kapilashrami, M.; Cabana, J.; Guo, J.; Salmeron, M.; Balsara, N. P.; Prendergast, D. Manuscript in Preparation
2014.
(3) Cuisinier, M.; Cabelguen, P.-E.; Evers, S.; He, G.; Kolbeck, M.; Garsuch, A.; Bolin, T.; Balasubramanian, M.; Nazar, L. F. The Journal of Physical Chemistry Letters
2013, 4, 3227.
(4) Patel, M. U. M.; Arčon, I.; Aquilanti, G.; Stievano, L.; Mali, G.; Dominko, R. ChemPhysChem
2014, n/a.
Local Cell Reaction Study for Lead Acid Battery
Authors: Iwai Taichi , Kitajima Daishi , Takai Shigeomi , Yao Takeshi 
Published: February 2020

Introduction

Lead acid battery has been widely used for more than 100 years and still now, it is very important for vehicles. Recently, lead acid battery has been intensively studied for the energy storage because of its low cost and high power. However, despite of its long history of study, some chemical reactions in a cell has not been clarified yet. The cathode material is PbO2 which has two types of crystal structures, α- PbO2 and β- PbO2. It is reported that PbO2 exists as β- PbO2 in an acidic region and as α- PbO2 in an alkaline region[1]. However, α- PbO2 also coexists with β- PbO2 in the cathode of lead acid battery and this reason is not revealed well till now. α- PbO2 shows the better cycle performance than β- PbO2 and β- PbO2 shows the larger discharge capacity than α- PbO2
[2]. Therefore, it is important to control the ratio of these two phases for the practical use of lead acid battery.
In the open circuit, local cell reaction between electrode material and current collector (CC) will occur[3]. Till now, the effect of local cell reaction has not been studied enough. In this study, we focused on the local cell reaction between the cathode material (PbO2) and various CCs for lead acid battery. The effect on the formation of α- PbO2 was investigated.

Experiment

β- PbO2 (A Johnson Matthey Company) was mechanically crushed in the mortar for 1d. The cathode was fabricated by mixing powder of the crushed PbO2 as the active material, acetylene black as a conducting additive and PTFE as a binder at the ratio of 80:15:5 by weight. Lead plate was used as counter electrode. The electrolyte was a 30wt% sulfuric acid. Two kinds of CC, platinum mesh and lead plate were used for the cathode to compare the local cell reaction between cathode material and CC. At first, we discharged for 30min at 9mA/g and charged for 20 min at 180mA/g for 20 cycles to make the cell reaction stable. Then, we discharged the cell deeply to the cutoff voltage of 0V at 9mA/g and opened the circuit. After the rest for 1d, X-ray diffraction of the surface of cathode was measured using RINT-TTR (Rigaku co., CuKα, 200mA, 30kV) for each CC.

Results and Discussion

Fig.1 shows XRD patterns after the rest time. Upper pattern (a) shows the result when using lead plate as CC, and lower pattern (b) shows the result when using platinum mesh as CC. The peak of α- PbO2 was observed for pattern (a). However, the peak of α- PbO2 was not observed for pattern (b). In the open circuit, local cell will be formed between electrode material and CC. When using platinum mesh as CC, PbO2 works as an anode and CC works as a cathode. On the contrary, when using lead plate as CC, PbO2 works as a cathode and CC works as an anode. It is suggested that this local cell reaction will affect on the formation of α- PbO2.

References

[1] Battery Handbook, third edition, (2001) 170
[2] E. Kadlecova et al. , PIERS ONLINE, VOL.2, No.6, (2006) 648-652
[3] T. Yao, T. Iwai and H. Tagashira, PCT/JP2013/ 74165 (2013)
Optimal Charging Profile for Lithium-Ion Batteries at Subzero Temperatures
Authors: Suthar Bharatkumar , Northrop Paul W. C. , Braatz Richard D. , Subramanian Venkat R. 
Published: February 2020

This presentation considers the problem of obtaining the optimal charging profile of a lithium-ion battery using physics-based thermal-electrochemical coupled models at subzero temperatures. The battery performance is usually very sensitive to temperatures at subzero environment and cannot deliver high rates of current (1). The temperature changes which arise during charging/discharging from subzero temperatures lead to significant changes in the battery dynamics throughout charging. Such major changes lead to charge/discharge behaviors that are not monotonic in voltage (2). This behavior necessitates the use of model based optimization techniques to derive optimal charging profiles which account for the changing temperatures within the cell.
This presentation will discuss optimal charging profiles derived using the thermal single particle model (3) and the reformulated thermal pseudo two dimensional model (4) at subzero temperatures. Special focus will be given to the effect of the surrounding temperature and heat transfer coefficient on performance and the calculated optimal profiles.

Acknowledgements

The work presented herein was funded in part by the Advanced Research Projects Agency – Energy (ARPA-E), U.S. Department of Energy, under Award Number DE-AR0000275 and McDonnell International Scholar Academy at Washington University in St. Louis.

References

1. Y. Ji, Y. Zhang and C.-Y. Wang, J. Electrochem. Soc., 160, A636 (2013).
2. Y. Ji and C. Y. Wang, Electrochimica Acta, 107, 664 (2013).
3. M. Guo, G. Sikha and R. E. White, J. Electrochem. Soc., 158, A122 (2011).
4. P. W. C. Northrop, V. Ramadesigan, S. De and V. R. Subramanian, J. Electrochem. Soc., 158, A1461 (2011).

** Electrochemical Society Active Member
z vsubramanian@seas.wustl.edu
Moving Battery Models to Low-Cost Microcontrollers for Enabling Electric Transportation
Authors: Pathak Manan , Sonawane Dayaram , Suthar Bharatkumar , Rife Derek , Subramanian Venkat R. 
Published: February 2020

Optimal performance of a proactive Battery Management System (BMS) needs real time knowledge of internal states of the battery such as Sate-of-Charge (SOC), State-of-Health (SOH) and battery power [1]. The effect of inaccurate state estimations may cause severe damage to the battery. The physics based battery models that could predict the internal states are inherently computationally challenging. This is difficult for implementation in dedicated microprocessors or microcontrollers with limited on-chip memory and low CPU clock. Efforts have been made in the past to come up with different low complexity and reformulated models which are capable of being implemented in microcontrollers for BMS operation [2-4].
In this work, we propose reformulated physics-based electrochemical models which are highly computationally efficient to deploy in low cost microcontrollers (like 32-bit AVR or Beagle Bone) for accurate state estimation of batteries. This talk will particularly focus on numerical simulation techniques that enable real-time simulation and optimization in microcontroller environment.

Acknowledgements

The authors acknowledge financial support provided by the US Department of Energy’s Advanced Research Projects Agency-Energy (ARPA-E), under award number DE-AR0000275.

References

[1] V. Pop, Battery Management Systems: Accurate State-of-Charge Indication for Battery Powered Applications, Dordrecht, Springer (2008).
[2] M. Farkhondeh, and C. Delacourt, Mathematical Modeling of Commercial LiFePO4 Electrodes Based on Variable Solid-State Diffusivity, J. Electrochem Soc. 159, A177 (2012).
[3] R. Klein, N. A. Chaturvedi, J. Christensen, J. Ahmed, R. Findeisen and A. Kojic, in Proceedings of the American Control Conference, p. 6618 (2010).
[4] P. W. C. Northrop, V. Ramadesigan, S. De, and V. R. Subramanian, “Coordinate Transformation, Orthogonal Collocation and Model Reformulation for Simulating Electrochemical-Thermal Behavior of Lithium-ion Battery Stacks,” J. Electrochem. Soc. 158(12), A1461-A1477 (2011).
Material and Energy Balance of Methanol Feed 1 kW SOFC Power System
Authors: Hsueh Kan-Lin , Ting Fu-Pin , Chang Yu-Ching , Huang Jar-Lu , Cheng Ya-Tang , Chang Wen-Sheng 
Published: February 2020

High chemical to electric energy conversion efficiency and ease capture of carbon dioxide makes solid oxide fuel cell (SOFC) very attractive for distributed power generation using natural gas, syngas, biofuel, and methanol as the fuel. A 1 kW prototype power unit was built by ITRI/Hephase using methanol as the fuel. Fig.1 is the flow chart of 1 kW SOFC power unit. The methanol is converted into hydrogen by a reformer. Electric pre-heater is used to maintain the fuel stream temperature for reformer inlet and for SOFC anode inlet. Residue hydrogen in fuel cell exhaust is combusted in an afterburner. Heat produced from the afterburner is used to heat up the inlet air stream of SOFC. Photo of this unit is depicted on Fig. 2. “HotBox” is located at up-left portion. This unit contains afterburner, electric heater, and heat exchanger. Up-right portion is the SOFC stack. Bottom portion is the electric controller/monitor. This power unit was transferred to Taiwan Power company for long-term operation and testing.
A steady state material and energy balance was carried out throughout the entire SOFC system. The polarization curve and operating point used in the model calculation is depicted on Fig. 3. This curve was calculated from equation (1). The Vr, DVact, DVohm, DVconcare equilibrium cell voltage, voltage loss due to electrochemical reaction, voltage loss due to internal resistance, voltage loss due to concentration polarization.
Major heat fluxes among each components and temperature of each streams were calculated. Major efficiency losses were also identified. Typical result is given on Fig. 4. Experimental data were collected. This model and parameters used in the calculation will be adjusted to fit the measured result.
Authors wish to thank the financial support from BOE/MOEA (Bureau of Energy, Ministry of Economic Affairs) and NSC (National Science Council). This work was carried out by researchers under the collaboration among Hephas Energy, Industrial Technology Research Institute/Green Energy and Environment Research Laboratory, National United University, Dept. Energy Engineering, and Taiwan Power Company.
MEMS Based Eit Technology for Non-Invasive Breast Cancer Diagsnostics
Authors: Khosla Ajit 
Published: February 2020

Non-invasive and radiation free medical imaging modalities for breast screening is increasingly in demand as the health care industry is taking a paradigm shift from the traditional “treating the sick” to “keeping people healthy” model. To address this need, we are developing a Nano Electrode Array based Electro Impedance Tomography (EIT) device.
The objective of this device is to become the leading solution for accurate and cost-effective non-invasive and radiation free early breast cancer detection medical imaging modality.This will be the first medical imaging device to use nano-electrode array embedded in flexible textile as sensors (fabricated via MEMS processes) [1, 2, 3, 4, 5,6], scan across a wide frequency spectrum and allow scanning of both breasts simultaneously. In addition, it is also the first device that simultaneously allows the scanning of lymph nodes located under the arm, a feature which is of value to oncologists tracking progression and treatment of cancers.
References:

D. Chung, A. Khosla, et al, “Flexible Ag/AgCl electrodes for applications in tissue Electrical Impedance Scanning (EIS)” Journal of The Electrochemical Society, 161 (2) B3071-B3076 (2014)

A. Khosla and B. L. Gray, “Preparation, characterization and micromolding of multi-walled carbon nanotube polydimethylsiloxane conducting nanocomposite polymer”; Materials Letters Volume 63, Issues 13-14, 31 May
2009, Pages 1203-1206.

A. Khosla, B.L. Gray, “CONDUCTIVE ELASTOMERIC MATERIAL AND USES THEREFOR“ US Patent No. 61/113998- Issued.

A. Khosla, and B. L. Gray; “Micropatternable Multifunctional Nanocomposite Polymers for Flexible Soft NEMS and MEMS Applications” ECS Trans. 2012 volume 45, issue 3, 477-494.

Matthew Giassa, A. Khosla, B. L. Gray, Ash Parameswaran, Kirpal Kholi, Ramani Rameseshan. “Applications for Low Frequency Impedance Analysis Systems.”, Journal of Electronic Testing, Volume 26, Number 1, 139-144, 2010.

A. Khosla, and B. L. Gray; "Fabrication and properties of conductive micromoldable thermosetting polymer for electronic routing in highly flexible microfluidic systems", Proceedings of SPIE Vol. 7593, 759314 (2010)
On-Line Preconcentrator on a Glass Capillary with Electrokinetic Trapping Technique
Authors: Lee Jeong Hoon , Yoo Yong Kyoung , Han Sung Il , Lee Junwoo , Chae Myung-Sic , Hwang Kyo Seon 
Published: February 2020

In proteomics, the needs for concentrating the low-abundant molecules from the target samples are rapidly increased, since the concentration of low abundant ones might fall below the detection limit of biosensors.1 In many cases, the samples are needed with several separation steps so that the preconcentration step is even more important when using microfluidic sensing systems.
Recently, protein preconcentrator are intensively investigated with micro/nanofluidic channel networks.2
,
3 More recently, the microfluidic chips with perm-selective ion nanoporous material have been developed for enhancing their performance4. The microfluidic preconcentrator based on electrokinetic trapping technique was intensively studied with PDMS, however, the surface of PDMS is unstable, which lead to inefficient use of electrokinetic trapping.
Here, we suggest the capillary based preconcentrator for collecting target proteins. It is well-known that the capillary has well-defined surfaces and could be connected easily with other analytical equipment. For this, we developed preconcentrator on a glass capillary simply by coating the ion-permslective membrane inside the glass channels. For operating protein preconcentration, we applied 20 V at both side electrodes in reservoir and tested the negative pressures to operate the ICP, then observed ion concentration polarization formed around ion permselective nanoporous material pattern. We tested the BDNF protein directly connected from the inserting tube in a mouse and measured real-time BDNF protein quantities with times
This simple and powerful method can provide a high sensitivity and a high reliability for preconcentration of other analysis equipment such as electro-spray components for the Mass Spec applications.
References
1. J. H. Lee and J. Han, Microfluid Nanofluid 9, 973-979 (2010).
2. Y.-C. Wang and J. Han, Lab Chip 8, 392 - 394 (2008).
3. J. H. Lee, Y.-A. Song and J. Han, Lab Chip 8 (4), 596-601 (2008).
4. J. H. Lee, B. D. Cosgrove, D. A. Lauffenburger and J. Han, J. AM. CHEM. SOC. 131, 10340-10341 (2009).
Electrochemical Behavior of Carbon and Thermo-Treated Steel Rebars Embedded in Concrete Exposed to Chlorides
Authors: Martínez-García Ricardo Adrián , Rivera-Corral Jesús Octavio , Fajardo Gerardo 
Published: February 2020

One of the most used materials to reinforce concrete structures is the carbon steel rebar, however raw materials to produce carbon steel according to ASTM-A-615 standards are have become more expensive, so most of the production of this type of steel reinforcement is made from ferrous metal waste material; but, their physical and mechanical properties are barely sufficient for the requirements that the applications demand and the fact of using raw materials of a known stoichiometric composition to improve them can result in an increase of the cost production, so the implementation of heat treatment has been the most feasible alternative to achieve the required quality checks at reasonable prices.
There is a great quantity of electrochemical data related to the mild steel rod, but the heat treatment produces a martensite outer layer, which may cause electrochemical differences. For this reason the main objective of this work was compare the electrochemical behavior between two different types of reinforcement, such as carbon steel and thermo-treated steel by QTB (Quenching Temperature Bar) process. The research was conducted in an accelerated exposure environment through immersion-drying cycles, using reinforced concrete specimens fabricated with water/cement ratios of 0.45 and 0.65.
These specimens were monitored through electrochemical tests, such as the half-cell potential (HCP) and the linear polarization resistance (LPR). Finally the determination of the critical chloride concentration was performed with a potentiometric titration. A critical chloride concentration of 0.45% and 0.73% for total chlorides by weight of cement were obtained for thermo-treated steel and carbon steel, respectively; where the critical chloride concentration is parameter which defines the activation for a reinforced concrete structure. In this case the activation time was different, but the electrochemical results obtained in all the exposure period for both of the two reinforcing steels were similar. The results were used for develop two explications about of the activation time differences between the two reinforcing bars.
Corrosion Inhibition of C38 Steel in 1M HCl Media By Amazonian Tree Alkaloidic Extract: Electrochemical and Phytochemical Study of Xylopia Frutescens Aubl
Authors: Chevalier Maxime , Sutour Sylvain , Roos Christophe , Lebrini Mounim 
Published: February 2020

The present report continues to focus on the broadening application of plant extracts for metallic corrosion control [1and 2] and reports on the inhibiting effect of the Xylopia frutescens alkaloidic extract on the corrosion of C38 steel in 1 M hydrochloric acid. This extract presents mainly aporphinoid alkaloids, with nitrogen, oxygen, and aromatic rings. The corrosion inhibition’s is studied by polarization curves and electrochemical impedance spectroscopy (EIS). Constant phase element parameters of EIS are graphically calculated for better data precision. Studies on the phytochemical constituents of the total extract were also established and the active(s) molecule(s) are identified by NMR spectroscopy.
The total alkaloid extract of Xylopia frutescenswas found to be an inhibitor for C38 steel corrosion in 1 M HCl solution and its inhibition efficiency increased with increasing concentration. The study showed that the inhibition behavior of the crude extract is due to the presence of aporphinoid alkaloids in the crude extract.
1- F.Suedile,etal., Corrosion inhibition of zinc by Mansoa alliacea plant extract in sodium chloride media: Extraction, Characterization and Electrochemical Studies, Electrochim. Acta (2014), http://dx.doi.org/10.1016/j.electacta.2013.12.070
2- M. Chevalier, et al., Enhanced corrosion resistance of mild steel in 1 M hydrochloric acid solution by alkaloids extract from Aniba rosaeodora plant: Electrochemical, phytochemical and XPS studies, Electrochim. Acta (2013), http://dx.doi.org/10.1016/j.electacta.2013.12.023
Electrochemical Behavior of Steel Covered with Corrosion Products of Zinc
Authors: Tada Eiji , Katakami Shinya , Nishikata Atsushi 
Published: February 2020

Corrosion protection mechanism of galvanized steel is mainly attributed to galvanic action of zinc and barrier effect of corrosion products of zinc.1)-2) Especially, it is said that corrosion products of zinc offer some corrosion protection to steel even after sacrificial dissolution of metallic zinc.3) In this study, electrochemical behavior of steel covered with zinc corrosion products was investigated to clarify protection mechanism for steel corrosion by zinc corrosion products.
A galvanic couple of Zn/steel, consisting of a steel substrate and a zinc layer, was used to prepare steel covered with zinc corrosion products. The zinc layer with 2 mm in width and 2 um in thickness was prepared by electrodeposition of zinc on the center of the steel substrate. The surface ratio of steel and zinc was 6:1. The Zn/steel couple was immersed in 1 M NaCl or 1 M MgCl2until the zinc layer dissolved completely. The zinc corrosion products formed on the steel substrate were observed and analyzed by SEM-EDX and Raman spectroscopy. Micro-electrochemical technique was employed to measure anodic and cathodic polarization curves for the steels covered with zinc corrosion products. The test solution for the polarization measurements was 0.1 M NaCl.
From the results of surface observation, precipitation morphology of zinc corrosion products changed depending on the types of the electrolyte solutions and the distance from the zinc layer. In case of 1 M NaCl, zinc corrosion products precipitated mainly around the zinc layer and the amount of the products decreased with increasing the distance from the zinc layer4)-6). The zinc corrosion products were confirmed to be zinc hydroxide and simonkolleite. It was found that cathodic reaction for steel covered with these corrosion products was inhibited. On the other hand, in case of 1 M MgCl2, precipitation morphology of zinc corrosion products was different from that in 1 M NaCl and the corrosion products containing Mg were formed on the steel a certain distance away from the zinc layer. The results of electrochemical polarization tests showed that anodic kinetics was suppressed on the steel covered with the corrosion products containing Mg.
References

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M. Matsumoto, J. Surf. Finish. Soc. Jpn., 57 (2006), 25.

S. Fujita and D. Mizuno, Corros. Sci., 49 (2007), 211.

E. Tada, K. Sugawara and H. Kaneko, Electrochim. Acta, 49 (2004), 1019.

E. Tada, S. Satoh and H. Kaneko, Electrochim. Acta, 49 (2004), 2279.

E. Tada and H. Kaneko, Corros. Sci., 52 (2010), 3421.