A combustion chemistry analysis of carbonate solvents used in Li-ion batteries

Harris, Stephen J.; Timmons, Adam; Pitz, William J.

doi:10.1016/j.jpowsour.2009.04.030

Cited by 111 publications

(62 citation statements)

References 23 publications

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“…Under abusive conditions, lithium-ion batteries can release solvent, which poses a flammability hazard. A chemical kinetic model for DEC is valuable to help assess the risks associated with this type of use [5].…”

Section: Introductionmentioning

confidence: 99%

An experimental and modeling study of diethyl carbonate oxidation

Nakamura

Curran

Córdoba

et al. 2015

Combustion and Flame

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Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO 2 and particulate emissions from diesel engines. A better understanding of DEC combustion characteristics is needed to facilitate its use in internal combustion engines. Towards this goal, ignition delay times for DEC were measured at conditions relevant to internal combustion engines using a rapid compression machine (RCM) and a shock tube. The experimental conditions investigated covered a wide range of temperatures (660-1300 K), a pressure of 30 bar, and equivalence ratios of 0.5, 1.0 and 2.0 in air.To provide further understanding of the intermediates formed in DEC oxidation, species concentrations were measured in a jet-stirred reactor at 10 atm over a temperature range of 500-1200 K and at equivalence ratios of 0.5, 1.0 and 2.0. These experimental measurements were used to aid the development and validation of a chemical kinetic model for DEC.The experimental results for ignition in the RCM showed near negative temperature coefficient (NTC) behavior. Six-membered alkylperoxy radical (R 2 ) isomerizations are conventionally thought to initiate low-temperature branching reactions responsible for NTC behavior, but DEC has no such possible 6-and 7-membered ring isomerizations. However, its molecular structure allows for 5-, 8-and 9-membered ring R 2 isomerizations. To provide accurate rate constants for these ring structures, ab initio computations for R 2 QOOH isomerization reactions were performed. These new R 2 isomerization rate constants have been implemented in a chemical kinetic model for DEC oxidation. The model simulations have been compared with ignition delay times measured in the RCM near the NTC region. Results of the 3 simulation were also compared with experimental results for ignition in the high-temperature region and for species concentrations in the jet-stirred reactor. Chemical kinetic insights into the oxidation of DEC were made using these experimental and modeling results.

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Section: Introductionmentioning

confidence: 99%

An experimental and modeling study of diethyl carbonate oxidation

Nakamura

Curran

Córdoba

et al. 2015

Combustion and Flame

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“…• C) greatly accelerate the fade rate 1,2 and may promote thermal runaway, 3 making temperature control critical. 4,5 Ideally, temperature control should be guided by the temperature inside the pouch cell, but making measurements inside an operating pouch cell has been difficult.…”

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confidence: 99%

Simultaneous Operando Measurements of the Local Temperature, State of Charge, and Strain inside a Commercial Lithium-Ion Battery Pouch Cell

Feng

Ren

et al. 2018

J. Electrochem. Soc.

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A high energy X-ray diffraction technique is employed in a new way to make operando through-thickness measurements inside a large format commercial Li-ion pouch cell. The technique, which has a sub-mm in-plane spatial resolution, simultaneously determines the local temperature, the local state of charge of both electrodes (as opposed to the global average state of charge determined electrochemically), and the local in-plane elastic strain in the current collectors, all without embedding any intrusive sensors that alter battery behavior. As both thermal strain and mechanical strain develop during the charge-discharge cycling of the pouch cell, a novel approach developed herein makes it possible to separate them, allowing for measurement of the local temperature inside the battery. The operando experiment reveals that the temperature inside the cell is substantially higher than the external temperature. We propose that mechanical strain is due primarily to load transfer from the electrode to the current collector during lithiation, allowing determination of the local binder. Detailed local SOC mapping illustrates non-uniform degradation of the battery pouch cell. The possibility for 3D measurements is proposed. We believe that this new approach can provide critically needed data for validation of detailed models of processes inside commercial pouch cells. Today's electric vehicles generally use pouch cells rather than the more traditional cylindrical cells. An important advantage of pouch cells is their much higher surface-to-volume ratio for a given capacity, which permits better cooling. Batteries tend to heat up because of the hot environments that cars experience, internal electric resistance heating, and exothermic chemical reactions during operation. The performance of batteries fades over time, and high temperatures (say, above 45• C) greatly accelerate the fade rate 1,2 and may promote thermal runaway, 3 making temperature control critical. 4,5 Ideally, temperature control should be guided by the temperature inside the pouch cell, but making measurements inside an operating pouch cell has been difficult. Instead, the outside temperature has usually been taken as a surrogate for the internal temperature. [6][7][8] If pouch cells are sufficiently thin, and if the thermal conductivity is high enough, then it is reasonable to assume that the temperature measured at an x-y location on the outside of a pouch cell, with a thermocouple or with a thermal infrared (IR) camera, is close to the temperature at that x-y location all the way through its thickness. However, auto makers are motivated to make pouch cells thicker, reducing the number of expensive seals, electrical connections, and controls. Since local temperatures inside a thick cell might well be too high under some conditions, knowledge of the spatial distribution of internal temperature is of vital importance for achieving long life at low cost.A number of techniques have been developed to measure internal cell temperatures, 10-17 but measurement of loca...

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“…Such an explosion occurred in Sweden in 2016 during a Li-ion battery test. Harris et al (2009) studied the impact from the carbonate solvents used in Li-ion batteries where they reported that flames of carbonate solvents are less energetic than hydrocarbons as propane. Most lithium-ion studies are primarily focused on the gases vented from the batteries, the other phases are neglected.…”

Section: Simulation Of Burning Velocities In Gases Vented From Thermamentioning

confidence: 99%

Proceedings of the 58th Conference on Simulation and Modelling (SIMS 58) Reykjavik, Iceland, September 25th – 27th, 2017

2017

Linköping Electronic Conference Proceedings

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Welcome to the 58th Conference on Simulation Modelling and Optimization in Reykjavik, Iceland. Reykjavik is the northernmost and one of the smallest capital cities in the world. Although small for a capital, it is the country's largest and most populated city and with the urban area population of around 200000, it is the home of the vast majority of Iceland's people. The city is pioneer in the use of geothermal energy to provide low-cost heating and electricity. Iceland's energy consumption per capita is among the highest in the world, and the proportion of this consumption provided by renewable energy sources exceeds most other countries. The electricity is produced almost entirely from renewable energy sources, hydroelectric (70%) and geothermal (30%) and simulation, modelling and optimization are the key elements to utilize the renewable energy more efficiently.The SIMS 58 will cover broad aspects of simulation, modelling and optimization and be a technical forum for participants to further their knowledge by being exposed to diverse topics, and exchange opinions and ideas both from industry and academia in a variety of topics related to simulation, modelling and optimization. The ambition is to bring the field of applied modelling and simulation techniques of energy systems to the general public as a contributing technology for efficient and sustainable energy systems. This year, the conference program contains two keynote speakers, 53 research papers and presentations organized into 14 sessions and an excursion to a geothermal park.The focus of the conference is on simulation, modelling and optimization in a variety of applied contexts including topics such as geothermal, hydro and bio energy, oil production, automotive industry and methodology and technologies for simulation, modelling and optimization.A key component of the SIMS conference is the opportunity to socialize and make new connections. The conference offers several possibilities such as a conference dinner at Bryggjan Brugghús (Bistro and Brewery), an excursion to the Reykjanes GEOPARK and last but not least some coffee and lunch breaks.SIMS stands for the Scandinavia Simulation Society with members from five Nordic countries, Denmark, Finland, Norway, Sweden and Iceland. The goal of SIMS is to develop further the science and practice of modelling and simulation in all application areas and to be a forum for information interchange between professionals and non-professionals in the Nordic countries.Thanks to all participants, authors, keynote speakers and presenters for their contribution to this conference. I also want to acknowledge the support I have received from the conference board, program committee and the SIMS board. The support from the National energy authority, Iceland is gratefully acknowledged.Welcome, I hope you will enjoy the conference and the interactions with your colleagues and other presenter here.Magnus Excursion:The conference excursion will be on Wednesday, September 27 th , at 10:00. Resource Park in the Reykjanes pen...

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A combustion chemistry analysis of carbonate solvents used in Li-ion batteries

Cited by 111 publications

References 23 publications

An experimental and modeling study of diethyl carbonate oxidation

An experimental and modeling study of diethyl carbonate oxidation

Simultaneous Operando Measurements of the Local Temperature, State of Charge, and Strain inside a Commercial Lithium-Ion Battery Pouch Cell

Proceedings of the 58th Conference on Simulation and Modelling (SIMS 58) Reykjavik, Iceland, September 25th – 27th, 2017

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