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Inferring electrochemical performance and parameters of Li-ion batteries based on deep operator networks 基于深度算子网络的锂离子电池电化学性能及参数推断
Pub Date : 2023-08-01 DOI: 10.1016/j.est.2023.107176
Qiang Zheng, Xiaoguang Yin, Dongxiao Zhang
Li-ion battery is a complex physicochemical system that generally takes observable current and terminal voltage as input and output, while leaving some unobservable quantities, e.g., Li-ion concentration, for serving as internal variables (states) of the system. On-line estimation for the unobservable states plays a key role in battery management system since they reflect battery safety and degradation conditions. Several kinds of models that map from current to voltage have been established for state estimation, such as accurate but inefficient physics-based models, and efficient but sometimes inaccurate equivalent circuit and black-box models. To realize accuracy and efficiency simultaneously in battery modeling, we propose to build a data-driven surrogate for a battery system while incorporating the underlying physics as constraints. In this work, we innovatively treat the functional mapping from current curve to terminal voltage as a composite of operators, which is approximated by the powerful deep operator network (DeepONet). Its learning capability is firstly verified through a predictive test for Li-ion concentration at two electrodes. In this experiment, the physics-informed DeepONet is found to be more robust than the purely data-driven DeepONet, especially in temporal extrapolation scenarios. A composite surrogate is then constructed for mapping current curve and solid diffusivity to terminal voltage with three operator networks, in which two parallel physics-informed DeepONets are firstly used to predict Li-ion concentration at two electrodes, and then based on their surface values, a DeepONet is built to give terminal voltage predictions. Since the surrogate is differentiable anywhere, it is endowed with the ability to learn from data directly, which was validated by using terminal voltage measurements to estimate input parameters. The proposed surrogate built upon operator networks possesses great potential to be applied in on-board scenarios, since it integrates efficiency and accuracy by incorporating underlying physics, and also leaves an interface for model refinement through a totally differentiable model structure.
锂离子电池是一个复杂的物理化学系统,通常以可观察的电流和端电压作为输入和输出,同时留下一些不可观察的量,如锂离子浓度作为系统的内部变量(状态)。不可观察状态的在线估计是电池管理系统的关键,它反映了电池的安全和退化状况。已经建立了几种从电流到电压映射的状态估计模型,如精确但低效的基于物理的模型,以及高效但有时不准确的等效电路和黑盒模型。为了同时实现电池建模的准确性和效率,我们建议为电池系统构建一个数据驱动的代理,同时将底层物理作为约束。在这项工作中,我们创新地将电流曲线到终端电压的函数映射视为算子的组合,并通过强大的深度算子网络(DeepONet)逼近。首先通过对两电极锂离子浓度的预测测试验证了其学习能力。在这个实验中,发现物理信息的DeepONet比纯数据驱动的DeepONet更健壮,特别是在时间外推场景中。然后构建了一个复合代理,将电流曲线和固体扩散系数映射到三个算子网络的终端电压,其中首先使用两个并行的物理信息DeepONet来预测两个电极上的锂离子浓度,然后基于它们的表面值构建DeepONet来预测终端电压。由于代理在任何地方都是可微的,因此它具有直接从数据中学习的能力,通过使用终端电压测量来估计输入参数验证了这一点。基于运营商网络构建的替代方案在机载场景中具有巨大的应用潜力,因为它通过结合底层物理特性集成了效率和准确性,并且还通过完全可微分的模型结构为模型改进留下了接口。
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引用次数: 2
Role of geochemical reactions on caprock integrity during underground hydrogen storage 地下储氢过程中地球化学反应对盖层完整性的影响
Pub Date : 2023-08-01 DOI: 10.1016/j.est.2023.107414
Lingping Zeng, Stephanie Vialle, Jonathan Ennis-King, Lionel Esteban, Mohammad Sarmadivaleh, Joel Sarout, Jeremie Dautriat, Ausama Giwelli, Quan Xie
Underground hydrogen storage in depleted gas reservoirs is a promising and economical option for large-scale renewable energy storage to achieve net-zero carbon emission. While caprock plays an important role in sealing capacity, current knowledge is still limited on the effect of H2-brine-rock geochemical interactions on caprock integrity, raising concerns about the viability of long-term UHS. To address this problem, we developed kinetic batch models to characterize the time-dependent redox-reactions which are unique for underground hydrogen storage. This is combined with analytical estimates for the extent of hydrogen penetration into caprock. Our results show that the dissolution degrees of all tested minerals in three types of shales are <1 % in 30 years, indicating a strong caprock integrity and containment ability during underground hydrogen storage from a geochemical perspective. Reactive transport calculations indicate that hydrogen only affects a few metres of the caprock above the reservoir, so that storage integrity of thick caprocks will be unaffected. Similarly, the overall amount of hydrogen penetrating into caprock is likely to be a tiny fraction of the amount stored, typically much <1 %. Overall, our results suggest that H2-brine-shale geochemical interactions may not compromise caprock integrity during underground hydrogen storage.
枯竭气藏地下储氢是实现净零碳排放的大规模可再生能源存储的一种有前途和经济的选择。尽管盖层在密封能力方面发挥着重要作用,但目前对h2 -卤水-岩石地球化学相互作用对盖层完整性的影响的了解仍然有限,这引起了人们对长期UHS可行性的担忧。为了解决这个问题,我们开发了动力学批模型来表征地下储氢特有的随时间的氧化还原反应。这与氢渗透到盖层的程度的分析估计相结合。结果表明,三种类型页岩30年的溶蚀度均小于1%,从地球化学角度看,具有较强的储氢盖层完整性和储氢能力。反应输运计算表明,氢只影响储层上方几米的盖层,因此厚盖层的储存完整性将不受影响。同样,穿透盖层的氢气总量可能只是储存量的一小部分,通常远小于1%。总的来说,我们的研究结果表明,在地下储氢过程中,h2 -卤水-页岩地球化学相互作用可能不会损害盖层的完整性。
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引用次数: 2
Reevaluating the stability of the PEO-based solid-state electrolytes for high voltage solid-state batteries 高压固态电池用peo基固态电解质稳定性的再评价
Pub Date : 2023-07-01 DOI: 10.1016/j.est.2023.107052
Xinsheng Wu, Jay F. Whitacre
This work shows how PEO-based solid state-electrolyte materials can be more stable than commonly expected when used with some types of high voltage cathode materials. Potentiodynamic and galvanostatic tests were performed in test cells using PEO electrolyte layers with either LiNixMnyCozO2 or LiCoO2 cathode materials. We found that the high voltage instability of PEO-based solid-state cells is profoundly affected by the interfacial instability of the cathode material used Specifically, the in the presence of PEO electrolyte, LiCoO2 electrodes were observed to undergo an irreversible oxidation process where they eventually shattered into small pieces, thus leading to a rapid irreversible loss in capacity. In contrast, we found that the PEO-based solid-state electrolytes could be stably cycled with high-nickel content cathode materials (NCM 811, 532, and 111) stably at a cell potential up to 4.5 V vs. Li/Li+ over many cycles with minimal capacity deterioration; this unexpected degree of stability in light of possible PEO/cathode interfacial stability concepts.
这项工作表明,当与某些类型的高压阴极材料一起使用时,基于peo的固态电解质材料如何比通常预期的更稳定。在测试电池中使用PEO电解质层和LiNixMnyCozO2或LiCoO2正极材料进行动电位和恒流测试。我们发现基于PEO的固态电池的高压不稳定性受到阴极材料界面不稳定性的深刻影响。具体来说,在PEO电解质的存在下,LiCoO2电极经历了不可逆的氧化过程,最终破碎成小块,从而导致容量的快速不可逆损失。相比之下,我们发现peo基固态电解质可以与高镍含量的正极材料(NCM 811、532和111)稳定循环,电池电位高达4.5 V,与Li/Li+相比,在多次循环中容量下降最小;鉴于可能的PEO/阴极界面稳定性概念,这种意想不到的稳定性程度。
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引用次数: 1
Numerical-experimental method to devise a liquid-cooling test system for lithium-ion battery packs 采用数值实验方法设计锂离子电池组液冷测试系统
Pub Date : 2023-07-01 DOI: 10.1016/j.est.2023.107096
Zhendong Zhang, Zehua Zhu, Ziqiang Yang, Lei Sheng
The liquid-cooling system (LCS) of lithium-ion battery (LIB) pack is crucial in prolonging battery lifespan and improving electric vehicle (EV) reliability. This study purposes to control the battery pack's thermal distribution within a desirable level per a new-designed LCS. Both the special experimental platform and LCS model coupled with EV dynamic model are established to pinpoint the optimal matching parameters of components and the system's operational control-strategies. The results show that the deviation between experiment and simulation is within 3.0 % under conventional conditions. Higher flowrate and lower inlet temperature lead to lower battery temperature, while delaying the cooling intervention could reduce power consumption of 20 % around. The multi-objective optimization is conducted to further slash power consumption at 2750 W, and battery temperature at 30.83 °C during normal 1C discharge, by using response surface method combined with genetic algorithm II. Moreover, the present optimization also demonstrates a well-balanced solution between the battery temperature and power consumption under drive cycle. Combined with experiment and simulation, this work is valuable for one to design an excellent LCS for LIB packs of EV.
锂离子电池组的液冷系统(LCS)对于延长电池寿命和提高电动汽车的可靠性至关重要。本研究的目的是将新设计的LCS的电池组热分布控制在理想的水平。建立了专用实验平台,并建立了LCS模型与电动汽车动力学模型相结合,以确定各部件的最优匹配参数和系统的运行控制策略。结果表明,在常规条件下,实验与模拟的偏差在3.0%以内。更高的流量和更低的进口温度导致电池温度降低,而延迟冷却干预可以降低20%左右的功耗。采用响应面法结合遗传算法II进行多目标优化,进一步降低电池在正常1C放电时的功耗为2750 W,电池温度为30.83℃。此外,本优化还展示了在驱动循环下电池温度和功耗之间的良好平衡解决方案。实验与仿真相结合,为电动汽车LIB电池组的LCS设计提供了参考。
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引用次数: 4
A review on methods for state of health forecasting of lithium-ion batteries applicable in real-world operational conditions 锂离子电池实际运行状态预测方法综述
Pub Date : 2023-01-01 DOI: 10.1016/j.est.2022.105978
Friedrich von Bülow, Tobias Meisen
The ageing of Lithium-ion batteries can be described as change of state of health (∆SOH). It depends on the battery's operation during charging, discharging, and rest phases. Mapping the operation conditions during these phases for long time windows to a ∆SOH enables forecasting the battery's SOH. With SOH forecasting fleet managers of battery electric vehicle (BEV) fleets can plan vehicle replacement and optimize the fleet's operational strategy. Inspired by the applicability from a user's perspective of fleet managers and battery designers, this work motivates and defines key criteria for SOH forecasting models. The key criteria concern the encoding of information in the model inputs, model transferability to other batteries, and the applicability to 2nd life battery applications. Based on these key criteria we review SOH forecasting models. Currently, only few models satisfy the majority of the defined key criteria, while three others only fail at two key criteria. The majority (71 %) of the methods use machine learning models which can be seen as current research trend due to the complex dependence of battery operational data and battery ageing. We show limitations of the applicability and comparability of existing models due to different data sets, different metrics, different output values, and different forecast horizons. Furthermore, code and data are only rarely shared and publicly available.
锂离子电池的老化可以用健康状态的变化(∆SOH)来描述。这取决于电池在充电、放电和休息阶段的运行情况。将这些阶段长时间窗口内的运行条件映射为∆SOH,可以预测电池的SOH。通过SOH预测,纯电动汽车(BEV)车队管理者可以制定车辆更换计划,优化车队运营策略。从车队经理和电池设计师的用户角度出发,受到适用性的启发,这项工作激励并定义了SOH预测模型的关键标准。关键标准涉及模型输入信息的编码、模型与其他电池的可移植性以及对二次寿命电池应用的适用性。基于这些关键准则,我们对SOH预测模型进行了综述。目前,只有少数模型满足大多数定义的关键标准,而其他三个模型仅在两个关键标准上失败。大多数(71%)的方法使用机器学习模型,由于电池运行数据和电池老化的复杂依赖性,这可以被视为当前的研究趋势。由于不同的数据集、不同的度量、不同的输出值和不同的预测范围,我们显示了现有模型的适用性和可比性的局限性。此外,代码和数据很少被共享和公开。
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引用次数: 13
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Journal of energy storage
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