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Modeling and Simulation of All-Solid-State Batteries with Block Copolymers

Möhrle, Daniel O. and Becker-Steinberger, Katharina and Horstmann, Birger and Latz, Arnulf (2020) Modeling and Simulation of All-Solid-State Batteries with Block Copolymers. 71st Annual Meeting of the International Society of Electrochemistry, 31. Aug. - 04. Sep. 2020, Belgrad, Serbien.

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Abstract

All-solid-state batteries (ASSB) are experiencing a growing scientific interest in recent years as potential next-generation high-voltage batteries with great intrinsic safety. Using polymer electrolytes in ASSBs can solve problems with current battery technologies, such as dendrite growth [1] and flammability [2]. Particularly with regard to mechanical properties and stability, polymers are promising compared to other solid electrolytes. A large number of different polymers are currently being discussed [3]. In this contribution, we investigate the processes in block copolymer electrolytes [2] by a multi-physics continuum transport model. The methodological framework for thermodynamically consistent modeling is given in previous work of Latz et al. [4]. The description of the polymer electrolyte material is based on the specific free energy, which includes contributions due to mechanics, configuration and polarization. For the configurational free energy, the Flory-Huggins solution model is applied to catch the entropic behaviour of a polymer solution. In contrast to transport theories of other electrolytes, we formulate our model with respect to the polymer velocity. This enables us to parameterize the model with data from simulations on the atomic scale, e.g. from molecular dynamics simulations [5]. We investigate the behavior of ASSBs with polymer electrolytes under different operating conditions and compare our simulations to experiments as well as simulations of other types of electrolytes. The most prominent differences are expected for the configurational and mechanical properties. This is a first step towards the theory-based spatially and time-resolved description of processes in ASSBs with block copolymer electrolytes.

Item URL in elib:https://elib.dlr.de/139572/
Document Type:Conference or Workshop Item (Poster)
Title:Modeling and Simulation of All-Solid-State Batteries with Block Copolymers
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Möhrle, Daniel O.Daniel.Moehrle (at) dlr.dehttps://orcid.org/0000-0003-1078-215X
Becker-Steinberger, KatharinaKatharina.Becker-Steinberger (at) dlr.deUNSPECIFIED
Horstmann, Birgerbirger.horstmann (at) dlr.dehttps://orcid.org/0000-0002-1500-0578
Latz, ArnulfArnulf.Latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172
Date:August 2020
Refereed publication:No
Open Access:No
Gold Open Access:No
In SCOPUS:No
In ISI Web of Science:No
Status:Published
Keywords:All-Solid-State Battery, polymer electrolyte, Festkörperbatterie, Polymerelektrolyt, Modellierung, Simulation, Block Copolymers, Block Copolymere
Event Title:71st Annual Meeting of the International Society of Electrochemistry
Event Location:Belgrad, Serbien
Event Type:international Conference
Event Dates:31. Aug. - 04. Sep. 2020
Organizer:International Society of Electrochemistry
HGF - Research field:Energy
HGF - Program:Storage and Cross-linked Infrastructures
HGF - Program Themes:Electrochemical Energy Storage
DLR - Research area:Energy
DLR - Program:E SP - Energy Storage
DLR - Research theme (Project):E - Electrochemical Prcesses (Batteries) (old)
Location: Ulm
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Möhrle, Daniel
Deposited On:11 Dec 2020 16:48
Last Modified:11 Dec 2020 16:49

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