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Porous Carbon Aerogels for High-Performance Lithium-Sulfur Battery 高性能锂硫电池用多孔碳气凝胶
Pub Date : 2025-11-14 DOI: 10.1002/est2.70295
Wang Lin, Daniel Nframah Ampong, Kwadwo Mensah-Darkwa, Ram K. Gupta

The rationale for designing cathode material for a high-performance lithium-sulfur (Li-S) battery, which offers high-rate capability and stability for energy storage applications, has been adopted in this work. Sodium carbonate solution was utilized as a catalyst to prepare porous carbon aerogels from resorcinol and formaldehyde via freeze-drying and carbonization at 800°C in an N2 atmosphere. The synthesized materials were used as a composite with sulfur to fabricate electrodes for Li-S batteries. The prepared carbon/sulfur composite (HG-40%) delivered an initial capacity of 1510 mAh/g at 0.25 C with a very high level of reversibility. The cycling tests showed very good stability at 1 C, maintaining a discharge specific capacity of about 71% of the initially recorded value (from 639 to 455 mAh/g) after 500 cycles. These performances can be attributed to the improvement in accommodating more active species, resulting in a shorter ionic path within the aerogel-based carbon matrix. This research opens a new avenue for synthesizing and fabricating cathode materials for high-performance Li-S batteries, benefiting the electrochemical industry.

为高性能锂硫(Li-S)电池设计阴极材料的基本原理,为储能应用提供了高倍率能力和稳定性,已被采用在这项工作中。以碳酸钠溶液为催化剂,以间苯二酚和甲醛为原料,在800℃N2气氛下进行冷冻干燥和碳化制备多孔碳气凝胶。将合成的材料与硫作为复合材料制备锂硫电池电极。所制备的碳/硫复合材料(HG-40%)在0.25℃时的初始容量为1510 mAh/g,具有非常高的可逆性。循环测试显示,电池在1c下的稳定性非常好,在500次循环后,放电比容量保持在初始记录值(从639 mAh/g到455 mAh/g)的71%左右。这些性能可归因于容纳更多活性物质的改进,导致气凝胶基碳基体内的离子路径更短。本研究为高性能锂电池正极材料的合成和制造开辟了新的途径,有利于电化学工业的发展。
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引用次数: 0
Investigation of the Capacitive Properties of Bimetallic Iron–Nickel Organic Framework and Carbon Nanotube Composite on Carbon Felt Electrode 双金属铁镍有机骨架与碳纳米管复合材料在碳毡电极上的电容性能研究
Pub Date : 2025-11-14 DOI: 10.1002/est2.70298
Yudum Tepeli Büyüksünetçi

The increasing global population and rapid depletion of energy resources have intensified the demand for renewable energy and advanced energy storage solutions. Supercapacitors, with their high power density, long cycle life, and fast charging capability, are emerging as a promising alternative to conventional batteries. This study reports, for the first time, the capacitive performance of a bimetallic FeNi metal-organic framework (MOF) combined with multi-walled carbon nanotubes (MWCNTs) on a carbon felt electrode. The composite was synthesized via a hydrothermal route and applied through a drop-casting method. Electrochemical performance was evaluated using cyclic voltammetry, electrochemical impedance spectroscopy, and galvanostatic charge–discharge techniques. The resulting electrode demonstrated a specific capacitance of about 180 F/g over a wide current density range, nearly 100% coulombic efficiency, a power density up to 3600 W/kg, and an energy density of about 91 Wh/kg. Moreover, it retained 90% of its capacity after 700 charge–discharge cycles, underscoring its stability. These findings highlight the FeNi MOF-MWCNT composite as a promising candidate for high-performance supercapacitor electrodes.

全球人口的增长和能源资源的迅速枯竭加剧了对可再生能源和先进储能解决方案的需求。超级电容器以其高功率密度、长循环寿命和快速充电能力,正在成为传统电池的一个有前途的替代品。本研究首次报道了双金属FeNi金属有机骨架(MOF)与多壁碳纳米管(MWCNTs)在碳毡电极上的电容性能。采用水热法合成了该复合材料,并采用滴铸法制备。利用循环伏安法、电化学阻抗谱和恒流充放电技术对电化学性能进行了评价。结果表明,该电极在宽电流密度范围内的比电容约为180 F/g,库仑效率接近100%,功率密度高达3600 W/kg,能量密度约为91 Wh/kg。此外,在700次充放电循环后,它的容量保持了90%,强调了它的稳定性。这些发现突出了FeNi MOF-MWCNT复合材料作为高性能超级电容器电极的有前途的候选者。
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引用次数: 0
Hybrid Energy Storage System in Load Frequency Control Using Slime Mould Algorithm Under Deregulated Market 市场放松管制下基于黏菌算法的负荷变频混合储能系统
Pub Date : 2025-11-14 DOI: 10.1002/est2.70287
F. Lalhmangaihzuala, Subir Datta, Samuel Lalngaihawma, Hassan Abdurrahman Shuaibu, Taha Selim Ustun

In deregulated power systems, maintaining stable load frequency control (LFC) is increasingly challenging due to the integration of diverse energy sources and the unpredictable nature of demand and generation. Traditional control strategies often struggle to provide robust performance under these dynamic conditions, especially when contract violations occur. Additionally, ensuring frequency stability across multi-area grids with mixed energy profiles especially integration of hybrid energy storage systems, requires advanced and adaptive control mechanisms. This paper proposes a novel application of the Slime Mold Algorithm (SMA) to optimize a novel TIIDN-P controller under a deregulated environment. This paper also proposes a novel three-area hybrid power system. Each area comprises a thermal power plant integrated with a renewable energy source and a dedicated energy storage system (ESS): Area 1 includes a wind turbine, Area 2 features geothermal energy, and Area 3 incorporates biogas. The proposed system is chosen since it has not yet been investigated and those energy sources are easily available in India. By leveraging the adaptive search capabilities of SMA, the proposed TIIDN-P control strategy achieves significantly improved frequency regulation performance compared to other controllers. In comparison to PSO (Particle Swarm Optimization), FA (Firefly Algorithm), GWO (Grey Wolf Optimizer) and MBA (Mine Blast Algorithm), the proposed algorithm reduced settling time significantly up to 40% for different areas' frequency. Simulation results confirm that TIIDN-P controllers offer superior dynamic response, reduced overshoot, and enhanced robustness under varying system conditions. The integration of hybrid ESS configurations not only stabilizes system frequency but also effectively mitigates the impact of uncontracted power fluctuations. Sensitivity analysis further validates the resilience of the proposed approach. The sensitivity analysis proved that the proposed system as well as the controller, is robust enough in various cases. The stability analysis using eigenvalue analysis revealed that the proposed system is stable in various conditions. Moreover, this paper presents an intensive comparison of various types of Energy Storage Systems and their hybrid systems to find out the best ESS and the best hybrid system which is the first-ever of its kind. An investigation reveals that RFBESS and FWESS hybrids are the best option from the case study.

在放松管制的电力系统中,由于多种能源的整合以及需求和发电的不可预测性,维持稳定负荷频率控制(LFC)越来越具有挑战性。传统的控制策略往往难以在这些动态条件下提供稳健的性能,尤其是在发生违反合同的情况下。此外,确保混合能源分布的多区域电网的频率稳定性,特别是混合储能系统的集成,需要先进的自适应控制机制。本文提出了一种新的应用黏菌算法(SMA)来优化一种放松管制环境下的新型TIIDN-P控制器。本文还提出了一种新型的三区混合动力系统。每个区域包括一个集成了可再生能源和专用储能系统(ESS)的火力发电厂:1区包括风力涡轮机,2区以地热能为特色,3区包括沼气。之所以选择这个拟议的系统,是因为它还没有经过调查,而这些能源在印度很容易获得。通过利用SMA的自适应搜索能力,与其他控制器相比,所提出的TIIDN-P控制策略显著提高了频率调节性能。与PSO (Particle Swarm Optimization)、FA (Firefly Algorithm)、GWO (Grey Wolf Optimizer)和MBA (Mine Blast Algorithm)算法相比,该算法在不同区域频率下的沉降时间可显著缩短40%。仿真结果证实,在不同的系统条件下,TIIDN-P控制器提供了更好的动态响应,减少了超调量,增强了鲁棒性。混合ESS配置的集成不仅可以稳定系统频率,还可以有效减轻非收缩功率波动的影响。敏感性分析进一步验证了该方法的弹性。灵敏度分析证明了所提出的系统和控制器在各种情况下都具有足够的鲁棒性。利用特征值分析进行稳定性分析,表明系统在各种条件下都是稳定的。此外,本文还对各种类型的储能系统及其混合系统进行了深入的比较,以找出最佳ESS和最佳混合系统,这是同类系统中首次出现的。一项调查显示,RFBESS和FWESS混合是案例研究的最佳选择。
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引用次数: 0
A Review on Conductive Composite for Heat Exchange in Electric Vehicle Battery Packs 电动汽车电池包热交换用导电复合材料研究进展
Pub Date : 2025-11-13 DOI: 10.1002/est2.70291
Nakeeran Elangkeeran, Arputham Arul Jeya Kumar

The most prominent transition has all to do with the electric vehicles within the evolving technological environment facing rapid advancement today. Effective thermal performance of an electric vehicle battery pack is of utmost importance, in terms of both safety and performance, longevity. In this review a context of conductive composite materials in battery heat exchange systems (BHES) is explored, thus giving indication into the importance of architecture in optimizing heat transfer within EV battery modules. The ultimate aim is to present up-to-date developments in material science that will improve the thermal performance of battery thermal management systems (BTMS), achieve uniform heat distribution, and increase battery efficiency. In this regard, future aspects' emphasis is put on porous foam composites incorporating phase change materials (PCM), which are highly promising in improving thermal regulation under variable operational conditions. This study is something different from previous reviews because this article particularly highlights conductive composite phase change materials in thermal regulation for EV battery packs and recent advances. The review will also give a comparative account of conventional and advanced cooling methods, the challenges of which mainly lie in material integration and costs and will point toward possible futures of research and development in thermal management strategies for EV batteries.

最突出的转变与电动汽车在不断发展的技术环境中面临的快速发展有关。电动汽车电池组的有效热性能对于安全性、性能和寿命都至关重要。本文探讨了电池热交换系统(BHES)中导电复合材料的背景,从而表明了结构在优化电动汽车电池模块内传热中的重要性。最终目的是展示材料科学的最新发展,以改善电池热管理系统(BTMS)的热性能,实现均匀的热量分配,并提高电池效率。在这方面,未来的重点将放在包含相变材料(PCM)的多孔泡沫复合材料上,这在改善可变操作条件下的热调节方面非常有前途。本研究与以往的综述有所不同,因为本文特别强调了导电复合相变材料在电动汽车电池组热调节中的应用及其最新进展。该综述还将对传统和先进的冷却方法进行比较,主要挑战在于材料集成和成本,并将指出电动汽车电池热管理策略研究和开发的可能未来。
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引用次数: 0
A Novel Fast-Charging Framework Based on Model Predictive Control 基于模型预测控制的新型快速充电框架
Pub Date : 2025-11-12 DOI: 10.1002/est2.70293
Haijun Yu, Aina Tian, Bingrui Qu, Tiezhou Wu, Qingzheng Cao, Jiuchun Jiang

Charging strategy optimization for lithium-ion batteries is crucial to improve the efficiency of new energy devices. In this study, three conventional methods are compared: constant-current constant-voltage (CCCV) charging is the most efficient but slowest, pulse charging (PC) is the fastest but least efficient, and multistage constant-current (MSCC) is a compromise between speed and efficiency. To this end, we propose a dynamic optimal charging strategy based on model predictive control (MPC) that balances rapid-charging speed with battery safety. By integrating a low-order electrochemical–thermal–aging coupled model with real-time state estimation provided by an extended Kalman filter (EKF), a rolling-horizon framework is established to track both state-of-charge (SOC) and temperature reference trajectories. Experiments show that EKF has stronger initial error robustness (maximum deviation < 2%) than unscented Kalman filter (UKF) and unscented Kalman Bucy filter (UKBF), which provides reliable feedback for MPC. The new strategy achieves an optimal balance between charging efficiency and safety by dynamically adjusting the charging profile and significantly improves the charging speed under closed-loop control compared to the CCCV method, while controlling the temperature rise within 5°C.

锂离子电池充电策略优化是提高新能源设备效率的关键。本文比较了恒流恒压(CCCV)充电效率最高但最慢,脉冲充电速度最快但效率最低,多级恒流(MSCC)充电是一种速度与效率的折衷方案。为此,我们提出了一种基于模型预测控制(MPC)的动态最优充电策略,以平衡快速充电速度和电池安全性。通过将低阶电化学-热老化耦合模型与扩展卡尔曼滤波(EKF)提供的实时状态估计相结合,建立了滚动水平框架来跟踪荷电状态(SOC)和温度参考轨迹。实验表明,EKF比unscented Kalman滤波(UKF)和unscented Kalman Bucy滤波(UKBF)具有更强的初始误差鲁棒性(最大偏差为2%),为MPC提供了可靠的反馈。该策略通过动态调整充电轮廓,实现了充电效率和安全性的最佳平衡,在闭环控制下,与CCCV方法相比,充电速度显著提高,同时将温升控制在5℃以内。
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引用次数: 0
Innovative Energy Storage Solutions for Electric Vehicle Fleets: Challenges and Future Directions in Italy 电动汽车车队的创新储能解决方案:意大利的挑战和未来方向
Pub Date : 2025-11-11 DOI: 10.1002/est2.70290
Hamid Safarzadeh, Francesco Di Maria

The rapid growth of electric vehicle (EV) fleets in Italy is intensifying pressure on the national grid and raising concerns about infrastructure readiness, economic feasibility, and regulatory fragmentation. Energy storage systems (ESS) are central to addressing these challenges, yet their role in fleet electrification remains underexplored in the Italian context. This study investigates the technological, economic, and policy dimensions of energy storage innovations that can support Italy's transition toward sustainable fleet electrification in alignment with EU climate goals. A mixed-methods approach was employed, combining policy and regulatory analysis, 18 expert interviews with fleet operators, energy providers, and policymakers, and a Python-based simulation of EV fleet charging to evaluate technical performance, economic viability, and future deployment scenarios validated by a Delphi panel of 10 experts. The findings reveal that high upfront costs, limited charging infrastructure, and regional policy disparities are the primary barriers to ESS adoption. Simulation results indicate that lithium-ion batteries can reliably meet daily fleet energy demand but are constrained by degradation and grid strain under concentrated charging schedules. Scenario analysis shows that under optimistic conditions, including rapid technology development and expanded infrastructure, fleet-related emissions could be reduced by up to 40% by 2030. Overall, the study underscores that energy storage is a cornerstone of Italy's EV fleet transition and highlights the need for coordinated policy alignment, investment in advanced storage technologies, and expansion of vehicle-to-grid (V2G) services to unlock economic and environmental benefits while positioning Italy as a leader in sustainable mobility.

意大利电动汽车(EV)车队的快速增长正在加大对国家电网的压力,并引发了对基础设施准备情况、经济可行性和监管分散的担忧。储能系统(ESS)是解决这些挑战的核心,但在意大利,其在车队电气化中的作用仍未得到充分探索。本研究调查了储能创新的技术、经济和政策层面,这些创新可以支持意大利向符合欧盟气候目标的可持续车队电气化过渡。采用混合方法,结合政策和监管分析,18位专家与车队运营商、能源供应商和政策制定者进行访谈,以及基于python的电动汽车车队充电模拟,以评估技术性能、经济可行性和未来部署方案,并由10位专家组成的德尔福小组验证。研究结果显示,高昂的前期成本、有限的充电基础设施和地区政策差异是采用ESS的主要障碍。仿真结果表明,在集中充电模式下,锂离子电池能够可靠地满足车队的日常能源需求,但受到退化和电网应变的限制。情景分析表明,在乐观的情况下,包括技术的快速发展和基础设施的扩大,到2030年,与车队相关的排放量可以减少多达40%。总体而言,该研究强调,储能是意大利电动汽车车队转型的基石,并强调需要协调政策调整,投资先进的储能技术,扩大车辆到电网(V2G)服务,以释放经济和环境效益,同时将意大利定位为可持续移动出行的领导者。
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引用次数: 0
Adaptive Power Distribution and Range Enhancement in Electric Vehicles Using Hybrid Energy Storage System 基于混合动力储能系统的电动汽车自适应功率分配与续航里程增强
Pub Date : 2025-11-11 DOI: 10.1002/est2.70292
Sachin Chavan, Saket Yeolekar, Netra Lokhande

The automotive industry's transition to green mobility has increased the focus on electric vehicles (EVs) due to their low emissions and reduced reliance on conventional carbon-based fuels. To support wider EV adoption, enhancing the efficiency and performance of their energy storage systems—particularly, by increasing power and energy density—is essential. Although various advanced energy storage systems (ESSs) are available, batteries remain the most viable option for meeting the average power demands of EVs. However, challenges such as excessive heat generation, limited power density, and reduced operational lifespan hinder optimal performance when relying solely on batteries. A hybrid energy storage system (HESS) presents a promising solution by enabling more efficient power management. Key functions of HESSs include supporting vehicle acceleration, capturing energy during regenerative braking, and reducing stress on the battery. By integrating a battery with a supercapacitor (SC), HESSs can meet instantaneous power demands and facilitate energy recovery during deceleration. This study evaluates the performance of a standalone battery and an HESS by using MATLAB–Simulink simulations. The results show that the SC absorbs most peak current loads over short durations, while the battery supplies the average current. The HESS reduces average battery current demand and extends vehicle range by 38%. Additionally, hybridization allows for a reduction in battery power capacity, resulting in a 33 kg weight decrease. These findings demonstrate the potential of HESS to enhance EV performance, promote energy efficiency, and support the broader adoption of sustainable transportation.

由于电动汽车的低排放和减少对传统碳基燃料的依赖,汽车行业向绿色交通的转型增加了人们对电动汽车(ev)的关注。为了支持更广泛的电动汽车采用,提高其储能系统的效率和性能——特别是通过提高功率和能量密度——是必不可少的。尽管有各种先进的储能系统(ess)可供选择,但电池仍然是满足电动汽车平均电力需求的最可行选择。然而,当完全依赖电池时,诸如产生过多热量、有限的功率密度和缩短的使用寿命等挑战阻碍了最佳性能。混合储能系统(HESS)通过实现更有效的电源管理,提供了一个有前途的解决方案。hess的主要功能包括支持车辆加速,在再生制动过程中捕获能量,以及减少对电池的压力。通过将电池与超级电容器(SC)集成在一起,hess可以满足瞬时功率需求,并促进减速过程中的能量回收。本研究通过使用MATLAB-Simulink仿真来评估独立电池和HESS的性能。结果表明,SC在短时间内吸收了大部分峰值电流负载,而电池提供了平均电流。HESS降低了平均电池电流需求,并将车辆续航里程延长了38%。此外,杂交允许减少电池的电力容量,导致33公斤的重量减少。这些发现证明了HESS在提高电动汽车性能、提高能源效率和支持更广泛采用可持续交通方面的潜力。
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引用次数: 0
Accurate Real-Time Internal Temperature Estimation of Lithium-Ion Batteries With an Aquila-Optimized Adaptive Strong Tracking Extended Kalman Filter 基于aquila优化自适应强跟踪扩展卡尔曼滤波的锂离子电池内部温度实时精确估计
Pub Date : 2025-11-06 DOI: 10.1002/est2.70289
Qiping Chen, Zhikun Xu, Xiaowei Huang, Qingfeng Hu, Zhiqiang Jiang, Changjiang Liao

To address the challenge of directly and accurately measuring the internal temperature of lithium-ion power batteries in electric vehicles, this paper proposes an online precise estimation method for battery internal temperature based on the Aquila Optimizer-optimized Adaptive Strong Tracking Extended Kalman Filter (AO-ASTEKF). Building on a battery equivalent thermal model with parameters identified using the Genetic Algorithm (GA), the Aquila Optimizer (AO) is employed to optimize the initial noise covariance settings of the traditional Extended Kalman Filter (EKF), thereby mitigating the impact of improper initialization. To resolve the estimation deviation caused by fixed noise covariance in EKF, the Sage-Husa adaptive filtering technique is introduced to enable adaptive adjustment of noise covariance values. Furthermore, to counteract the estimation accuracy degradation of the filter due to sudden temperature changes in high-temperature environments, the Strong Tracking (ST) filter is incorporated to enhance the tracking capability of the EKF. Through co-simulation in AMESim and MATLAB/Simulink, the accuracy of the proposed AO-ASTEKF algorithm in estimating battery internal temperature is validated under different ambient temperatures and operating conditions. Experimental results demonstrate that the AO-ASTEKF algorithm improves estimation accuracy by at least 58.46% compared to both the traditional EKF and the Strong Tracking Extended Kalman Filter (STEKF). This method effectively overcomes the limitations of conventional algorithms in accurately estimating battery internal temperature, holding significant importance for ensuring battery safety and enhancing battery performance.

为解决电动汽车锂离子动力电池内部温度直接准确测量的难题,提出了一种基于Aquila优化器优化的自适应强跟踪扩展卡尔曼滤波(AO-ASTEKF)的电池内部温度在线精确估计方法。在利用遗传算法(GA)确定参数的电池等效热模型的基础上,利用Aquila Optimizer (AO)优化传统扩展卡尔曼滤波器(EKF)的初始噪声协方差设置,从而减轻初始化不当的影响。为了解决EKF中噪声协方差固定造成的估计偏差,引入Sage-Husa自适应滤波技术,实现噪声协方差值的自适应调整。此外,为了抵消高温环境下由于温度突然变化导致的滤波器估计精度下降,引入了强跟踪(ST)滤波器来增强EKF的跟踪能力。通过AMESim和MATLAB/Simulink联合仿真,验证了AO-ASTEKF算法在不同环境温度和工况下估算电池内部温度的准确性。实验结果表明,与传统EKF和强跟踪扩展卡尔曼滤波(STEKF)相比,AO-ASTEKF算法的估计精度至少提高了58.46%。该方法有效克服了传统算法在准确估计电池内部温度方面的局限性,对保证电池安全、提高电池性能具有重要意义。
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引用次数: 0
Thermal Performance Enhancement of an Annular Thermal Energy Storage System With Rotating Walls 具有旋转壁面的环形储热系统的热性能增强
Pub Date : 2025-11-04 DOI: 10.1002/est2.70288
Saber Abdollahzadeh Bonab, Sajjad Ahangar Zonouzi

This study numerically investigates the thermal performance enhancement of a PCM-filled annular thermal energy storage (TES) system using rotational walls, considering both the solidification and melting processes. Various rotational configurations are explored. These configurations are separate rotation of the inner and outer walls, simultaneous rotation of both walls with different angular velocities, and rotations in both clockwise (CW) and counterclockwise (CCW) directions. The results show that the rotation of the walls induces forced convection which enhances heat transfer and accelerates PCM melting. The molten layers in proximity to the rotating walls show increased velocity causing improved flow effects. Higher rotational speeds result in stronger fluid flow and enhanced convection within the PCM enclosure, resulting in a larger volumetric fraction of PCM undergoing the melting process. Furthermore, the rotation of the walls promotes a more uniform distribution of heat and a homogeneous distribution of the molten PCM throughout the system. Simultaneously rotating both the inner and outer walls of the PCM enclosure reduces the total melting time which increases the overall efficiency of the TES system. Regarding the solidification process, the rotation of the PCM enclosure walls accelerates the typically slow solidification stage. Increasing the angular velocities causes a higher solidification rate because of enhanced mixing within the system. At the highest angular velocity, rotating the outer wall alone, reduces melting time by 49.06%, while rotating both walls (inner CW–outer CCW) leads to a maximum reduction of 62.15%. In solidification, outer wall rotation decreases the total solidification time by 55.91%, and rotating both walls (CW–CW) achieves up to 56.53% reduction. Overall, the findings of this study show the significant thermal performance enhancement achieved through the rotation of walls in PCM-filled annular TES systems.

本研究在考虑凝固和熔化过程的情况下,数值研究了使用旋转壁填充pcm的环形热储能(TES)系统的热性能增强。探讨了各种旋转构型。这些构型包括内外壁分别旋转、两壁同时以不同角速度旋转、顺时针和逆时针方向旋转。结果表明,壁面的旋转引起强制对流,强化了传热,加速了PCM的熔化。靠近旋转壁面的熔融层速度增加,从而改善了流动效果。更高的转速会导致更强的流体流动和PCM外壳内的对流增强,从而导致更大的PCM体积分数正在熔化过程中。此外,壁的旋转促进了热量的更均匀分布和熔融PCM在整个系统中的均匀分布。同时旋转PCM外壳的内外壁可以减少总熔化时间,从而提高TES系统的整体效率。在凝固过程中,PCM外壳的旋转加速了典型的缓慢凝固阶段。增加角速度可以提高凝固速率,因为系统内的混合增强了。在最高角速度下,仅旋转外壁可使熔化时间缩短49.06%,而同时旋转两壁(内钨-外钨)可使熔化时间缩短62.15%。在凝固过程中,外壁旋转可使总凝固时间缩短55.91%,双壁旋转(CW-CW)可使凝固时间缩短56.53%。总的来说,这项研究的结果表明,在pcm填充的环空TES系统中,通过壁面旋转可以显著提高热性能。
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引用次数: 0
Comparative Computational Study of Semi-Metallic Zintl Hydrides for Hydrogen Storage Applications 半金属锌氢化物储氢应用的比较计算研究
Pub Date : 2025-10-30 DOI: 10.1002/est2.70286
H. Ammi, Z. Charifi, T. Ghellab, T. Saadi, L. Bouhdjer, S. Addala, H. Baaziz

Efficient, safe, and compact solid-state materials are critical for overcoming hydrogen storage challenges. This study introduces a novel class of materials, the hexagonal Zintl-phase hydrides SnMSiH (M = Al, Ga), and establishes their exceptional potential through first-principles density functional theory (DFT) calculations. The key superiority of these materials lies in their unique semimetallic electronic structure, which significantly enhances hydrogen interactions by reducing the activation energy for desorption, enabling efficient and reversible cycling—a critical improvement over insulating or wide-bandgap hydrides. Structurally, the primitive hexagonal framework (space group P3m1) provides optimal diffusion pathways for hydrogen. We report a high gravimetric capacity of 0.58 wt% for SnAlSiH with a near-ambient desorption temperature of 310.69 K, markedly superior to many complex hydrides. SnGaSiH offers a capacity of 0.47 wt% at an even lower desorption temperature of 254.15 K, indicating easy hydrogen release. Thermodynamically, both compounds exhibit significant thermal expansion and high heat capacities, ensuring resilience at operating temperatures. Mechanically, they are highly anisotropic; SnAlSiH's higher compressibility may facilitate volume changes during cycling, while SnGaSiH demonstrates superior mechanical stability (higher elastic constants). This combination of favorable desorption thermodynamics, intrinsic structural stability, and robust mechanical properties distinguishes SnMSiH hydrides as premier candidates for application. This work provides a foundational strategy for further performance enhancement through alloying and defect engineering.

高效、安全、紧凑的固态材料是克服储氢挑战的关键。本研究引入了一类新型材料,六方锌相氢化物SnMSiH (M = Al, Ga),并通过第一性原理密度泛函理论(DFT)计算建立了它们的特殊潜力。这些材料的关键优势在于其独特的半金属电子结构,通过降低解吸活化能显着增强了氢的相互作用,实现了高效和可逆的循环-这是对绝缘或宽带隙氢化物的关键改进。在结构上,原始六边形框架(空间群P3m1)为氢提供了最佳的扩散途径。我们报告了SnAlSiH的高重量容量为0.58 wt%,近环境解吸温度为310.69 K,明显优于许多复杂的氢化物。SnGaSiH在更低的解吸温度(254.15 K)下提供0.47 wt%的容量,表明氢容易释放。热力学上,这两种化合物都表现出显著的热膨胀和高热容,确保了在工作温度下的弹性。机械上,它们是高度各向异性的;SnAlSiH较高的可压缩性可能有助于循环过程中的体积变化,而SnGaSiH具有优越的机械稳定性(更高的弹性常数)。这种良好的解吸热力学、固有的结构稳定性和强大的机械性能的结合使SnMSiH氢化物成为应用的首选候选者。这项工作为通过合金化和缺陷工程进一步提高性能提供了基础策略。
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