Energy Technologies and CO2 Management: Session III
Sponsored by: TMS Extraction and Processing Division, TMS Light Metals Division, TMS: Energy Committee
Program Organizers: Alafara Baba, University of Ilorin; Lei Zhang, University of Alaska Fairbanks; Donna Guillen, Idaho National Laboratory; Xiaobo Chen, RMIT University; John Howarter, Purdue University; Neale Neelameggham, IND LLC; Cong Wang, Northeastern University; Ziqi Sun, Queensland University of Technology; Hong (Marco) Peng, University of Queensland; Yu Lin Zhong, Griffith University
Tuesday 8:30 AM
March 16, 2021
Room: RM 26
Location: TMS2021 Virtual
Session Chair: Hong (Marco) Peng, University of Queensland; Xiaobo Chen, RMIT University
8:30 AM
Effects on Operational Capabilities and Lifecycle of Commercially Available Li-ion Batteries Due to Partial Nail Penetration from Drop Hammer Impact Test: Casey Jones1; Bing Li1; Vikas Tomar1; 1Purdue University
The purpose of this work was to simulate the operation of a cell in an abusive environment, such as those found in electric vehicles, aerospace applications, etc. A drop hammer test rig implementing a nail was used to penetrate approximately halfway through each cell during cycling at a rate of 1C, and the cells were allowed to continue cycling afterwards. The penetrations caused a rapid spike in temperature, resulting in decomposition of the electrolyte and solid electrolyte interface. Combined with the physical damage to the electrodes, this generated an accelerated aging of the cells under test. The discharge capacity for the first cycle after penetration was approximately 10% lower for each cell, and each cell’s capacity reached end-of-life criteria in an average of 43 cycles after the penetration. Peak incremental capacity values decreased approximately 15% by end-of-life as well, also showing a decreasing state of health after penetration.
8:50 AM
Excitonic Effects in Absorption Spectra of Carbon Dioxide Reduction Photocatalysts: Tathagata Biswas1; Arunima Singh1; 1Arizona State University
We study the quasiparticle bandstructure and excitonic properties of 52 materials, which were recently shortlisted for their potential as a catalyst for CO2 photo-reduction through rigorous first-principles computation-based screening strategy. Many body perturbation theory within GW approximation has been used to explore the electronic structure of these materials. To inspect the excitonic effects we use state-of-the-art Bethe-Salpeter formalism. A high-throughput computational workflow using the “atomate” package was used to perform the GW-BSE calculations and analyze the results. We validate our results with 10 previously studied (using both theoretical and experimental methods) materials found in literature and report the results for 42 promising unexplored materials. In addition to providing a more accurate quasiparticle description of the electronic structure, our study further investigates the suitability of these materials in applications such as CO2 photo-reduction, efficient solar cells, etc. by examining their absorption spectra and excitonic properties.
9:10 AM
Experimental Study and Numerical Modeling of Nanoparticle Injection Technology for Remediating Leaks of CO2 Storage: Linfei Li1; Yige Zhang1; Mija Hubler1; Yunping Xi1; Pania Newell2; 1University of Colorado Boulder; 2University of Utah
In successful applications of carbon sequestration technologies, CO2 gas has been transported into underground reservoirs. Oil well cements have been widely used to seal the well for potential leakage of CO2 gas. However, CO2 may leak from the interface of different materials: the interface between steel casing and cement annulus, and the interface between the cement annulus and surrounding rock. The first part of this work is to experimentally study the possibility of using nanoparticles for repairing the cracks and leaks generated in the well cement used in underground CO2 storage formations. Several types of nanoparticles can be injected into the distressed cement to repair wellbore leakage. The injection is done using a new electro-migration method. The second part of this work is to develop a numerical modeling for simulating the injection process of nanoparticles. A general framework for numerical modeling is developed to describe the proposed nanoparticle injection technology.
9:30 AM
High Temperature Properties in Ferritic Heat Resistant Steels with Intermetallic Precipitates for High Efficient Heat Recovery Systems: Akio Mitani1; Mari Miyoseta1; Yukio Tachi1; 1Sanyo Special Steel Co., Ltd.
Suppression of energy consumption and CO2 emission have been attracting attention on a worldwide basis. A recuperator is one of the representatives of heat exchangers contributing to these challenges through heat recovery, and is broadly operated in various industries. Although increasing service temperature in requperator is a straightforward way to improve the heat recovery efficiency, more durable materials at elevated temperature are required for heat exchanger tubes. Compared with conventional heat resistant steels such as EN1.4762, the developed high chromium ferritic steel, which is characterized by the addition of titanium and niobium besides silicon and aluminum, achieved excellent creep life at 850 degree Celsius through dispersed intergranular and intragranular intermetallic precipitates. The intermetallic compounds were long-term stable and didn’t degrade corrosion resistance at the desired service temperature. The tubes using the developed material enable to increase maximum service temperature in recuperator and help realize outstanding heat recovery efficiency.