Industrial Waste Heat Recovery Research Articles

Recent trends and future perspectives of thermoelectric materials and their applications.

This review explores the ever-evolving landscape of thermoelectric materials, focusing on the latest trends and innovations in ceramics, thermally conductive gel-like materials, metals, nanoparticles, polymers, and silicon. Thermoelectric materials have garnered significant attention for their capability to convert waste heat into electrical power, positioning them as promising candidates for energy harvesting and cooling applications. This review distinguishes itself by highlighting recent advancements in synthesis methods, advanced doping strategies, and nanostructuring techniques that have markedly enhanced material performance. It provides a comprehensive analysis of the controlled properties concerning their synthesis parameters, such as electrical conductivity, Seebeck coefficient, and thermal conductivity. Furthermore, this work delves into the emerging applications of thermoelectric devices across diverse fields, including automotive, aerospace, wearable electronics, and industrial waste heat recovery. By offering forward-looking insights, this review outlines thermoelectric devices' challenges and future prospects, underscoring their potential to contribute to sustainable energy solutions and efficient thermal management systems. By integrating current trends with future projections, this review offers a timely and comprehensive roadmap for researchers and engineers dedicated to advancing next-generation thermoelectric technologies.

Recent trends and future perspectives of thermoelectric materials and their applications.

This review explores the ever-evolving landscape of thermoelectric materials, focusing on the latest trends and innovations in ceramics, thermally conductive gel-like materials, metals, nanoparticles, polymers, and silicon. Thermoelectric materials have garnered significant attention for their capability to convert waste heat into electrical power, positioning them as promising candidates for energy harvesting and cooling applications. This review distinguishes itself by highlighting recent advancements in synthesis methods, advanced doping strategies, and nanostructuring techniques that have markedly enhanced material performance. It provides a comprehensive analysis of the controlled properties concerning their synthesis parameters, such as electrical conductivity, Seebeck coefficient, and thermal conductivity. Furthermore, this work delves into the emerging applications of thermoelectric devices across diverse fields, including automotive, aerospace, wearable electronics, and industrial waste heat recovery. By offering forward-looking insights, this review outlines thermoelectric devices' challenges and future prospects, underscoring their potential to contribute to sustainable energy solutions and efficient thermal management systems. By integrating current trends with future projections, this review offers a timely and comprehensive roadmap for researchers and engineers dedicated to advancing next-generation thermoelectric technologies.

Design and modelling of mobile thermal energy storage (M−TES) using structured composite phase change material modules

This study concerns with a modelling led-design of a novel mobile thermal energy storage (M−TES) device aimed to address off-site industrial waste heat recovery and reuse in the UK. For the first time, salt-based composite phase change material (CPCM) modules were employed as the M−TES medium, utilizing air for charging and discharging. Two-dimensional (2D) and three-dimensional (3D) computational fluid dynamics (CFD) models were initially developed and validated against experimental data. The 2D model was used for parametric study to determine critical M−TES dimensions, followed by the 3D model for a comprehensive evaluation of thermal performance of the M−TES device. Key parameters examined included temperature uniformity within CPCM modules, evolution of air temperatures at the inlet and outlet, thermal storage capacities, charging/discharging rates, and specific efficiencies defined as heat transfer efficiencies and charging/discharging efficiencies throughout a complete cycle. The results under baseline conditions demonstrated that the M−TES device stored nearly 400 MJ of heat with a TES density of 560 kJ/kg after 10 h of charging, achieving an average CPCM temperature of 662 K. Approximately 97 % of the stored heat was released with the average outlet air temperature exceeding 468 K during the subsequent 10-hour discharging period. This work preliminarily verified the feasibility of the novel M−TES concept for integrating industrial thermal processing decarbonization with domestic heat supply.

Design and modelling of mobile thermal energy storage (M−TES) using structured composite phase change material modules

This study concerns with a modelling led-design of a novel mobile thermal energy storage (M−TES) device aimed to address off-site industrial waste heat recovery and reuse in the UK. For the first time, salt-based composite phase change material (CPCM) modules were employed as the M−TES medium, utilizing air for charging and discharging. Two-dimensional (2D) and three-dimensional (3D) computational fluid dynamics (CFD) models were initially developed and validated against experimental data. The 2D model was used for parametric study to determine critical M−TES dimensions, followed by the 3D model for a comprehensive evaluation of thermal performance of the M−TES device. Key parameters examined included temperature uniformity within CPCM modules, evolution of air temperatures at the inlet and outlet, thermal storage capacities, charging/discharging rates, and specific efficiencies defined as heat transfer efficiencies and charging/discharging efficiencies throughout a complete cycle. The results under baseline conditions demonstrated that the M−TES device stored nearly 400 MJ of heat with a TES density of 560 kJ/kg after 10 h of charging, achieving an average CPCM temperature of 662 K. Approximately 97 % of the stored heat was released with the average outlet air temperature exceeding 468 K during the subsequent 10-hour discharging period. This work preliminarily verified the feasibility of the novel M−TES concept for integrating industrial thermal processing decarbonization with domestic heat supply.

Development of Macro-Encapsulated Phase-Change Material Using Composite of NaCl-Al2O3 with Characteristics of Self-Standing

Developing thermal storage materials is crucial for the efficient recovery of thermal energy. Salt-based phase-change materials have been widely studied. Despite their high thermal storage density and low cost, they still face issues such as low thermal conductivity and easy leaks. Therefore, a new type of NaCl-Al2O3@SiC@Al2O3 macrocapsule was developed to address these drawbacks, and it exhibited excellent rapid heat storage and release capabilities and was extremely stable, significantly reducing the risk of leakage at high temperatures for industrial waste heat recovery and in concentrated solar power systems above 800 °C. Thermal storage macrocapsules consisted of a double-layer encapsulation of silicon carbide and alumina and a self-standing core of NaCl-Al2O3. After enduring over 1000 h at a high temperature of 850 °C, the encapsulated phase-change material exhibited an extremely low weight loss rate of less than 5% compared with NaCl@Al2O3 and NaCl-Al2O3@Al2O3 macrocapsules, for which the weight loss rate was reduced by 25% and 10%, respectively, proving their excellent leakage prevention. The SiC powder layer, serving as an intermediate coating, further prevented leakage, while the use of Al2O3 ceramics for encapsulation enhanced the overall mechanical strength. It was innovatively discovered that the Al2O3 particles formed a network structure around the molten NaCl, playing an important role in maintaining the shape and preventing leakage of the composite thermal storage phase-change material. Furthermore, the addition of Al2O3 significantly enhanced the rapid heat storage and release rate of NaCl-Al2O3 compared to pure NaCl. This encapsulated phase-change material demonstrated outstanding durability and rapid heat storage and release performance, offering an innovative approach to the application of salt phase-change materials in the field of high temperature rapid heat storage and release and encapsulating NaCl as a high-temperature thermal storage material in a packed bed system. Compared with conventional salt-based phase-change materials, the developed product is expected to significantly improve the reliability and thermal efficiency of thermal storage systems.

Modification of steel slag to prepare chlorides based composite phase change materials with shape stability for high-temperature thermal energy storage

Using steel slag to prepare high-temperature (>500 °C) PCMs was an effective way to achieve its high value-added utilization as a potential heat storage medium in a variety of applications, such as solar energy storage, power peak shaving, and industrial waste heat recovery. However, the complex solid waste of steel slag might be corrosive to salt-based PCMs at high temperature. To address this issue, steel slag was firstly modified with another solid waste (i.e., CFA), which was then used to microencapsulate NaCl-KCl to prepare shape-stabilized C-PCMs in this work. Thermophysical and mechanical properties of C-PCMs were analyzed. Results showed that CFA modification greatly improved chemical compatibility between steel slag and eutectic salt through phase reconstruction. Steel slag modified with 30 wt% CFA at 1100 °C was identified as the optimum skeleton. The prepared C-PCMs containing 50 wt% salt showed a phase transition temperature of 653 °C with a high latent heat of 139 J/g and an excellent cycling stability. Additionally, its thermal conductivity reached 1.46 W/(m·K), 180 % higher than of pure salt. Compressive strength of the composite could be as high as 119 MPa, superior to other salt-based C-PCMs. A heat storage device was further designed to allow the numerical investigation of thermal performance of the prepared C-PCMs in practical conditions. Attributed by reasonable arrangement of bricks, the heat storage device possessed a uniform temperature distribution over the vertical cross-section of HTF, which contributed to a quick completion of charging and discharging process. This work could potentially lay a foundation for application of steel slag in the field of high-temperature thermal energy storage.

Hybridization of heat recovery from exhaust gas of boilers using thermoelectric generators

This study investigates the possibilities for energy recovery and environmental effect reduction of waste heat, a consequence of industrial activities. The main objective of the work is to integrate thermoelectric generators (TEGs) into industrial hybrid waste heat recovery system. The study consists of combining TEGs modules with a boiler waste heat recovery system with Rockwool insulation, taking into consideration variables like thermal resistance, power output, water temperature, and energy conversion efficiency. The results show that TEG placement has a major impact on system performance. One of the promising configuration is TEGs placed close to heat source, especially outside exhaust pipe outer walls, where electrical power up to 27 W can be generated and heat of 4215 W can be recovered from the exhaust gas.

Multi-Stakeholder Decision Support Based on Multicriteria Assessment: Application to Industrial Waste Heat Recovery for a District Heating Network in Grenoble, France

The decarbonization and decentralization of district heating networks lead to the shared use of on-site resources by multiple stakeholders. The optimal design of prospective equipment in such contexts should take into account the preferences and objectives of each stakeholder. This article focuses on the adaptation of a 4E multicriteria model (the criteria being energy, exergy, economic, and exergoeconomic) to include and compare the stakeholders’ performance criteria around the technical design. In addition, two graphical supports are proposed that represent and cross-analyze the different stakeholders’ preferred optima. A preliminary implementation of the methodology is illustrated through a study case in France, which features waste heat recovery for district heating utilization. After presenting the results, a discussion is offered on how to complete the methodology with an iterative negotiation procedure to determine the most suitable design. It was concluded, among other considerations, that the relaxation of the stakeholders’ optimality requirements can greatly enable the project’s feasibility. Such a relaxation could be implemented in the form of a joint consortium. In addition, the results showed that stakeholder relaxations of requirements can lead to new solutions that may outperform the best solutions pre-relaxation. Lastly, perspectives are suggested toward verifying whether relaxed requirements from upstream stakeholders might be more impactful than those of downstream stakeholders.

Case study on combined heat and water system for district heating in Beijing through recovery of industrial waste heat in Tangshan

With the proposal of China's dual-carbon goal, the recovery of industrial waste heat (IWH) for district heating has gained increasing attention. Recently, some scholars have proposed that combined heat and water (CHW) systems are more economical compared with separate heat and water supplies. Beijing lacks desalinated water (DW) and clean low-carbon heat, whereas Tangshan in Hebei Province is rich in IWH. By combining CHW with seasonal thermal energy storage, a case of long-distance transport of hot DW from Tangshan to Beijing was planned, and the costs, energy consumption, and feasibility were analyzed. As a result, under the optimal heat source temperature and effect number of 70 °C and 10 for seawater desalination, the heat from various IWH sources of the three costal steel plants is recovered maximally to produce about 35000 t/h of 95 °C DW. Then, the hot DW is transported to Beijing with a long-distance heat loss ratio controlled below 3 %. Annually, 271.2 million tons of DW and 91.5 million GJ of heat is supplied. The introduction of IWH can save 2.68 billion Nm3 of natural gas per year and the discounted payback period is about 10 years, which has obvious energy-saving, environmental, and economic benefits.

Impedance spectroscopy analysis of thermoelectric modules under actual energy harvesting operating conditions and a small temperature difference

Thermoelectric (TE) devices can convert heat into electricity and have gained great interest as energy harvesters in many applications, such as self-powered sensors, solar TE generators and industrial waste heat recovery. Not many techniques are usually available for their characterization under operating conditions. Consequently, only current-voltage (power output) curves are typically reported to account for their performance, which provide limited information. Impedance spectroscopy, which has been mainly applied to the study of TE modules suspended in air or vacuum, has the advantage to be used under operating conditions. Here, we exploit this advantage and provide an in-depth analysis of the impedance response of standard TE devices when they operate under a small temperature difference. First, we derive the physical models (equivalent circuits) for the two most common operating conditions: (i) constant temperature difference and (ii) constant heat power input. Then, we use the obtained equivalent circuit to successfully fit experimental impedance measurements in both operating modes, which show significant differences. From the fittings, it is possible to obtain the thermal contact resistance between the TE device and the heat exchangers (heat source and heat sink) among other key parameters. In addition, we analyze the variations found in the impedance spectra for different current output levels. Moreover, we show how different electrical resistances, extracted from the impedance results, directly relate to the slope of the I-V curve (power output), and can provide very valuable information about the different processes that determine its value. All these results establish impedance spectroscopy as a very powerful tool to characterize TE devices under operating conditions and as a method that can provide highly valuable insights into their performance.

Form-stable Na2CO3-NaCl/mullite phase change composite with SiC enhanced thermal conductivity for high temperature thermal storage

High-temperature energy storage technologies are gaining prominence to meet the needs of concentrating solar power plants and industrial waste heat recovery. In this study a series of form-stable phase change materials are prepared by a simple and efficient cold compression sintering method. In this method, Na2CO3-NaCl will be mixed with mullite ceramic powder; simultaneously, SiC nanoparticles are introduced to improve the thermal conductivity of the material. The leakage, microstructure, chemical compatibility and thermal physical properties of the prepared composites are systematically analyzed using Fourier-transform infrared spectroscopy, X-ray powder diffraction, Scanning electron microscope, Differential Scanning Calorimetry and Thermogravimetric. The results of the study show that good chemical compatibility of the components in the composites, and the latent heat of melting of the encapsulated composites as well as the sample with added SiC are 266.97 J/g and 217.63 J/g, respectively, while the latent heat of crystallization is 197.37 J/g and 151.13 J/g, respectively. Compared to the thermal conductivity of PCMs (0.41 W/(m·K)), the thermal conductivity of the sample with 20 % SiC added is 1.83 W/(m·K), an increase of 8.7 times. Thermal cycling and reliability tests show that even after 300 cycles, good chemical compatibility is maintained between the components in composites, and the phase change properties and quality remain stable. In addition, the thermal storage cost of FSPCM-M40-S20 is 1.90 $/MJ. Therefore, we believe that the prepared Na2CO3-NaCl/mullite/SiC FSPCM has promising applications in high-temperature thermal energy storage, especially in solar power generation and industrial waste heat recovery.

Experimental study on flow characteristics of falling film over horizontal tubes under countercurrent gas flow

Open-absorption heat pump serves as an important means of industrial waste heat recovery, and the overall performance of the heat pump system depends on the absorber’s performance. Horizontal-tube–falling-film absorption refers to a complex process involving the coupling of fluid flow, heat transfer, and mass transfer. For the complete understanding of the intertube flow characteristics of horizontal-tube falling film under countercurrent gas flow (We), Visual experimental studies on falling-film flow were conducted using high-speed photography. The critical Reynolds number (Re) was quantitatively characterized to represent the transition of different flow patterns between tubes. The experiment was conducted to investigate the variation in the critical Re under the coupling effects of various factors and establish an experimental prediction correlation formula for the critical Re and solution properties, We, s, and d with an error margin of less than 10%. The influence of single factors was characterized qualitatively and then subjected to sensitivity analysis. The factors affecting the critical Re in descending order of magnitude were as follows: solution mass fraction > s > d > countercurrent gas flow (We). A reduction of approximately 50% in the critical Re for every 10% increase in the solution mass fraction.

Multi-layered composite coatings with enhanced corrosion and abrasion resistance for industrial flue gas waste heat recovery

The corrosion and abrasion performance of flue gas heat exchangers is a prominent research focus in the field of industrial flue gas waste heat recovery. In this study, we have developed a multi-layered composite coating containing fluorographene and carborundum fillers, which exhibits excellent anti-corrosion and wear-resistant properties. Electrochemical and abrasion experiments demonstrate that the multi-layered composite coating effectively improves both the corrosion resistance and the mechanical properties of the material. The structure and preparation of this multi-layered composite coating provide a novel approach for design and application of advanced coatings for highly corrosive and dusty flue gas waste heat recovery.

Performance simulation study of multi-stage compression-throttle water working medium high-temperature heat pump system

In order to meet the demands of industrial high temperature heat and waste heat recovery in an economical and low-carbon manner, there has been a growing interest in the high-temperature heat pump using water as working medium. The study aims to address the issue of higher exhaust temperature in water working medium heat pumps resulting from a substantial increase in temperature, especially for the large temperature difference system which needs to adopt multi-stage compression. This will be accomplished by proposing a new and energy-efficient high-temperature heat pump system that utilizes water as the working medium. The optimized system combining with self-circulating water spraying and multi-stage compression, which can significantly reduce exhaust superheat and steadily improve system performance. A thermodynamic analysis was conducted on both two-stage and three-stage high-temperature heat pumps, taking into account the improved structure. The results indicate that the three-stage compression-throttle type can achieve the highest maximum water spraying ratio and the lowest exergy loss. This can effectively decrease the superheat of the compressor exhaust and enhance the overall system performance. Furthermore, in the three-stage compression-throttle system, when the evaporation temperature is set at 100 °C with a temperature increase of 40 °C, a mere 0.01 % augmentation in the water spraying ratio results in approximately a 0.0776 uplift in the COP of the water working medium system. This notable observation suggests that the implementation of self-circulating water spraying considerably enhances the system’s overall performance. Subsequently, an analysis of the corresponding design and operating parameters was conducted. It is important to note that the temperature of the waste heat source and the rotational speed of the compressor are the two key parameters that significantly impact the operation of the system. By this study, it provides some theoretical guidance for practical engineering applications.

Numerical simulation of a combined thermochemical-latent energy storage system based on paired metal hydrides and phase change material

The main goal of this paper is to assess the operating performance of a thermal energy storage system that combines latent and thermochemical heat storage for their utilization in industrial waste heat recovery as well as in solar power plants. Thermal energy is stored and released through endothermic desorption and exothermic absorption processes, thereby cycling hydrogen between two paired metal hydrides (MHs). The thermal performance of the dynamically coupled Mg2Fe/LaNi5 pair, which has never been investigated before, is presented in this study. Sodium acetate trihydrate is used as a PCM for the LaNi5-tank thermal management. Moreover, during the heat charging stage, the Mg2Fe-tank was subjected to a typical solar heat flux. A mathematical model has been established and utilized to simulate how the storage system would operate in practical situations. The impacts of the operating conditions, which are the efficiency of the supplied heat system, the HTF temperature, the heat transfer coefficient, and the initial temperature of the MH beds, on the storage system's performance are studied and discussed in detail. The findings from this investigation revealed that the pairing of Mg2Fe with LaNi5 at suitable operating conditions enabled the storage system to achieve a specific energy storage capacity of 2 MJ/kg of Mg2Fe and an efficiency of 87.1 %. The results of this study reveal the excellent performance of a potential and viable metal hydride pair (Mg2Fe/LaNi5) for its usage in thermal energy storage systems.

Novel value-add recycling route of industry solid waste for acting as supporting skeleton of NaNO3 phase change materials (PCMs)

This study provided a value-added utilization route for industrial solid waste by converting them into porous ceramics to act as supporting skeleton for PCMs. Steel slag (SS), ferronickel-slag (FNS) and Fly ash (FA) was used as main raw material to prepared anorthite-cordierite (AC) porous ceramics. Five groups of formula with different phase content were designed by adjusting the amount of SS and FNS addition. FactSage 8.0 software was applied to calculate the equilibrium phase composition of AC at high temperature, which provided guidance for the actual high temperature synthesis process. The prepared AC porous ceramics were found to have good mechanical strength and high porosity. Good chemical compatibility between AC and NaNO3 was demonstrated and the infiltration ratio was varied from 42% to 45%. In addition to high thermal storage capacity, AC has been found to help reduce the supercooling of NaNO3 and helps to improve the thermal storage performance. After 100 thermal cycles of melting and freezing, NaNO3/AC C-PCMs could maintained high than 97% of latent heat. Thermal transfer properties of AC were significantly enhanced after molten NaNO3 infiltrated. The thermal conductivity of NaNO3/AC40 C-PCMs at 25 °C reached 1.60 W·(m·K)−1, which is more than three times that of pure NaNO3. The good thermal storage performance of NaNO3/AC C-PCMs makes it potential candidate in high-temperature thermal storage fields like industrial waste heat recovery and solar energy storage. In a word, the application potential of metallurgical slag in the field of energy saving was well demonstrated by this study.

Novel high thermal conductivity alumina/salt composites for thermal energy storage: Effect of wettability on microstructure and properties

In this work, alumina foam ceramics (AFC) were prepared by foaming method, and AFC/salt composite phase change materials were prepared by melt infiltration method using AFC as skeleton materials. The results showed that AFC had good chemical compatibility with Na2SO4 and NaCl. The salt contents of AFC/Na2SO4 and AFC/NaCl were 37.8 wt% and 31.7 wt%, respectively, with compressive strength of 100.1 MPa and 72.8 MPa, thermal conductivity of 5.53 W/m·K and 6.40 W/m·K, and energy density of 1129 J/g and 1019 J/g, respectively. Due to the better wettability, AFC and Na2SO4 form a chimeric structure, which has better binding and bonding strength, and is not prone to molten salt leakage. AFC/ Na2SO4 is expected to be applied to industrial waste heat recovery and solar thermal power generation with periodic temperature changes.

Numerical investigation of latent heat storage unit with dual helical tube

The application of latent heat storage systems in waste heat recovery has become a promising solution for energy storage. This study proposes a configuration using dual helical tube, specifically designed for industrial waste heat recovery applications. This study investigates the thermal performance of a horizontal dual helical energy storage unit under natural gravity. It considers various parameters, including helical diameter, the number of helical turns, and eccentricity. When an eccentricity of 5 mm is used, the overall energy storage time is reduced by 30.86 %, and the energy storage density is at its highest (3.11 × 10−4 kW/cm2). Adjusting the outer helical tube to 9 turns produces the highest energy storage efficiency (0.9252). Additionally, the heat transfer characteristics during simultaneous energy storage and release processes have been studied. The results indicate that as the temperature difference or velocity ratio between the heat transfer fluids increases, the liquid fraction at steady state decreases. This decrease in liquid fraction requires a longer time to reach the steady state. When the outer helical tube is filled with the hot fluid and counter flow configuration is adopted, it achieves higher levels of absorption and release power at steady state. The influence of velocity on absorption and release power is more significant than that of temperature difference.

Research on the low-temperature waste heat storage performance of a novel microencapsulated phase change material with a double-shell encapsulation of hexadecylamine

Phase change materials (PCMs) have the advantages of high energy storage density and the temperature can be kept stable when the phase change process occurs, so they can be widely applied to the recovery of industrial waste heat. In this paper, hexadecylamine (HDA) was selected as PCMs, polystyrene (PS) and calcium carbonate (CaCO3) as wall materials, and PS/CaCO3/HDA microencapsulated phase change materials (MEPCMs) were prepared by ultrasonic emulsification. Then the prepared PCMs were characterized and their properties were tested by using transmission electron microscopy, scanning electron microscopy, X-ray diffraction analyzer, X-ray photoelectron spectrometer, Fourier infrared spectrometer, thermogravimetry, differential scanning calorimetry and other characterization methods. The results showed that PS/CaCO3/HDA MEPCMs with microcapsule structure were successfully prepared with a diameter of about 1.5 μm. The thermal conductivity of PS/ CaCO3/HDA MEPCMs was 0.491 W/(m·K), which was 3.41 times of the thermal conductivity of pure HDA. The highest latent heat of PS/CaCO3/HDA MEPCMs was 33.96 kJ/kg, and no leakage problems occurred. The above results indicate that PS/CaCO3/HDA MEPCMs have good stability and high thermal conductivity, and they have good thermal storage performance at low temperatures.

Adsorption behavior of H2O on the strontium bromide surface: first-principles and molecular dynamics calculations.

Thermochemical adsorption heat storage based on gas-solid interaction is an energy storage technology for the effective recovery of industrial waste heat and renewable energy sources such as solar energy. Currently, hygroscopic salts and water are commonly used as the working pairs in thermochemical thermal storage systems. Strontium bromide (SrBr2) is a highly potential material for low-grade thermal energy storage and building applications due to its high sorption capacity and reaction enthalpy. In order to better understand the microscopic mechanism of adsorption, the water adsorption behavior of strontium bromide surfaces on the atomic scale is investigated in this study by using density functional theory (DFT). The effects of doping Ca or Mg into strontium bromide on water adsorption are analyzed by the comparison of the energy barrier, density of states (DOS) and crystal orbital Hamilton population (COHP) obtained before and after metal atom doping. The energy barrier of the SrBr2/H2O reaction system is 5.916 kcal mol-1, and the energy barrier of Ca-doped SrBr2 reduces to 3.432 kcal mol-1, whereas the energy barrier of Mg-doped SrBr2 increases to 13.394 kcal mol-1. The thermodynamic properties of strontium bromide are significantly improved by doping with calcium atoms. The absolute value of the COHP for Ca-doped SrBr2 decreases, which indicates that Ca-doped SrBr2 can adsorb the H2O molecules more easily at the same temperature. The doping of Ca atoms has a positive effect on the adsorption heat storage process. This study provides insight into the adsorption mechanism of water molecules on strontium bromide and could facilitate the design of efficient composite adsorbents.