International Communications in Heat and Mass Transfer最新文献_第2页

Wall temperature effectiveness-wall entropy transfer efficiency evaluation method based on global and local entropy generation rates in convective heat transfer 基于全局和局部熵产率的对流换热壁面温度有效性-壁面熵产率评价方法

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-02-02 DOI: 10.1016/j.icheatmasstransfer.2026.110688

Bo Zhao

To resolve the inconsistencies associated with entropy production rates in convective heat transfer for unsteady compressible flows, the novel formulae for overall entropy generation rate and entropy generation rates per unit length and per unit volume are developed with a common driving force of inverse temperature differences complying with the Onsager's relation including the contributions of conduction and pure convection. The intrinsic relationships among three entropy generation rates are established and the difference between entropy generation rate and entransy dissipation rate is distinguished. To measure the relative utilization quantity and quality of an enhanced heat transfer wall, a wall temperature effectiveness (w) is defined as the ratio of thermal conductance to capacity rate and a wall entropy transfer efficiency (η_w) based on the second law is introduced for convective heat transfer devices. It is shown that w is the nondimensionalized convective heat transfer coefficient and η_w is the ratio of bulk fluid temperature to wall surface temperature with the relation associated with a pressure-drop (pumping power) duty parameter (a) and inlet fluid-to-wall temperature ratio (ϕ) between w and η_w. The validity of proposed entropy generation rates and the concepts of w and η_w is demonstrated by the heat transfer rate−temperature diagrams and by comparing to previous formulations. As an alternative criterion of performance evaluation, a wall effectiveness–wall entropy transfer efficiency method is developed to simultaneously gauge the figures of merit of the first- and second-law performances combining the influences of temperature difference and pressure drop, and the actual lower and upper limits of η_w and w dependent only on a and ϕ are obtained for practical operation. The w−η_w method is applied to typical heat exchangers (for the single-side case) to demonstrate its usefulness and sensitivity.

为了解决非定常可压缩流动对流换热过程中熵产率的不一致性问题，以符合Onsager关系的共同驱动力为逆温差，包括传导和纯对流的贡献，建立了新的总熵产率、单位长度熵产率和单位体积熵产率公式。建立了三种熵产率之间的内在关系，区分了熵产率与熵耗散率的区别。为了衡量强化传热壁面的相对利用率和质量，将壁面温度效率(w)定义为热导率与容率之比，并引入基于第二定律的对流传热装置壁面熵传递效率（ηw）。结果表明，w为非量纲化对流换热系数，ηw为体流体温度与壁面温度之比，其关系与压降（泵送功率）占空参数(a)和w与ηw之间的入口流体与壁面温度之比（φ）有关。通过传热速率-温度图和与先前公式的比较，证明了所提出的熵产率和w和ηw概念的有效性。作为性能评价的替代标准，提出了一种壁效-壁熵传递效率方法，结合温差和压降的影响，同时衡量第一定律和第二定律性能的优劣值，并获得了仅依赖于a和φ的ηw和w的实际下限和上限，以供实际操作。将w - ηw法应用于典型的换热器（单面情况下），以证明其有效性和灵敏度。

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引用次数: 0

Decoding the multidimensional structure–property relationships in base oils: A synergistic approach bridging molecular topology, thermal transport, and dielectric behavior 解读基础油的多维结构-性质关系：一种连接分子拓扑、热输运和介电行为的协同方法

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-02-02 DOI: 10.1016/j.icheatmasstransfer.2026.110679

Yuanxing Li , Shuzhen Rao , Zhaojun Zhang , Yue Wu

The rapid growth of data centers and high-power electronics has created an urgent demand for efficient immersion cooling fluids with well-defined thermal and dielectric properties. This study established a temperature-embedded dual-stage residual learning framework (DuRL) to quantitatively predict the thermal conductivity, bulk resistivity, and dielectric loss of synthetic base oils, including polyalphaolefins (PAOs), metallocene-based PAOs (mPAOs), and gas-to-liquid (GTL) oils, in the 40–100 °C temperature range. Molecular topology descriptors obtained from Quantitative Nuclear Magnetic Resonance (qNMR) and Gel Permeation Chromatography (GPC) were incorporated to bridge the molecular structure and macroscopic functions. Experimental validation combined with leave-one-temperature-out testing demonstrated that the DuRL achieved high accuracy (R² = 0.92–0.99 for thermal conductivity and bulk resistivity and ∼ 0.88 for dielectric loss). Feature importance analysis indicated that the branching index, dispersity, and polarity-weighted branching dominate the dielectric behavior, whereas the molecular weight distribution governs the heat transfer. Virtual screening highlighted mPAO4 as a promising candidate with balanced performance. This study demonstrated a robust data-driven approach for understanding the structure–property relationships of base oils and accelerated the molecular design and selection of immersion cooling fluids, offering a pathway toward the sustainable deployment and localized development of advanced cooling technologies in the energy sector.

数据中心和大功率电子设备的快速发展对具有明确的热和介电性能的高效浸入式冷却液产生了迫切的需求。本研究建立了一个温度嵌入双阶段残余学习框架（DuRL），用于定量预测合成基础油（包括聚α烯烃（PAOs）、茂金属基PAOs （mPAOs）和气液油（GTL））在40-100℃温度范围内的导热系数、体积电阻率和介电损耗。利用定量核磁共振（qNMR）和凝胶渗透色谱（GPC）获得的分子拓扑描述符来连接分子结构和宏观功能。实验验证结合留一温度测试表明，DuRL具有较高的精度（导热系数和体积电阻率R2 = 0.92-0.99，介电损耗R2 = 0.88）。特征重要性分析表明，分支指数、分散性和极性加权分支决定了介质的介电行为，而分子量分布决定了传热行为。虚拟筛选显示，mPAO4是一个有前途的候选人，具有平衡的性能。该研究展示了一种强大的数据驱动方法，用于理解基础油的结构-性能关系，加速了浸入式冷却液的分子设计和选择，为能源领域先进冷却技术的可持续部署和本地化开发提供了一条途径。

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引用次数: 0

Numerical study on maximum ceiling gas temperature of two buoyant plumes with different heights in an urban road tunnel 城市道路隧道内两种不同高度浮力羽流最大顶温数值研究

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-02-02 DOI: 10.1016/j.icheatmasstransfer.2026.110684

Huaxian Wan , Tianhao Liu , Handong Yu , Yuchun Zhang

The vehicle collision can easily trigger multiple plumes in a tunnel. This work aims to study the maximum ceiling gas temperature of two fires with different fire surface heights in a tunnel using numerical method. The heat release rate (HRR), fire surface height and longitudinal spacing of two fires were changed. A total of 180 numerical cases are carried out. The longitudinal ceiling gas temperature distribution and the maximum ceiling gas temperature were analyzed. The results showed that for two weak plumes (the flame height is lower than the tunnel height) in a tunnel, the maximum ceiling temperature increases with the height of fire with large surface height, but decreases with increasing spacing, and it is weakly affected by the height of fire with smaller surface height. For two strong plumes (at least one fire flames hit the ceiling) in a tunnel, the maximum ceiling temperature is largely affected by the heights of two fires, regardless of spacing. Then models of maximum ceiling temperature respectively for two weak and two strong plumes are developed by normalizing total HRRs using different length dimensions. Finally the proposed models are validated using measured data of two fires in tunnels in literatures.

车辆碰撞很容易在隧道中引发多股烟流。本文旨在用数值方法研究隧道中两种不同火面高度火灾的最高顶气温度。热释放率（HRR）、火面高度和两场火灾的纵向间距发生了变化。总共进行了180个数值计算。分析了顶棚纵向气体温度分布和顶棚最高气体温度。结果表明：对于隧道内两根弱羽流（火焰高度低于隧道高度），当面高较大时，最大顶温随火焰高度增大而增大，但随间距增大而减小；当面高较小时，受火焰高度影响较弱；对于隧道内的两个强烟羽（至少有一个火焰击中天花板），最大天花板温度在很大程度上受两个火焰高度的影响，而与间距无关。然后，通过对不同长度尺度的总hrr进行归一化，分别建立了两种弱羽和两种强羽的最高顶温模型。最后利用文献中两次隧道火灾的实测数据对模型进行了验证。

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引用次数: 0

Effect of oxygen functional group coverage of graphene oxide on interfacial thermal conductance in phase change materials 氧化石墨烯氧官能团覆盖率对相变材料界面导热性能的影响

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-02-02 DOI: 10.1016/j.icheatmasstransfer.2026.110683

Zhenguo Zhang , Ke Ren , Guangtong Zhang , Xinjian Liu , Zhonghao Rao

To enhance the energy storage efficiency of phase change materials, the clarification of interfacial thermal conductance mechanisms between high-thermal-conductivity fillers and phase change materials is considered crucial. In this study, the effects of graphene size and graphene functionalization with oxygen-containing groups on the interfacial thermal conductance of three typical phase change materials are systematically investigated using molecular dynamics simulations. It is shown that an increase in the lateral area of graphene continuously enhances interfacial thermal conductance until a plateau value is achieved, as more long-wavelength phonons are promoted to participate in interfacial coupling. When the coverage of oxygen-containing functional groups reaches 50%, the interfacial thermal conductance of the stearic acid and stearyl alcohol systems is significantly increased by 22.71% and 20.86%, respectively, which exceeds the corresponding increase of the paraffin system (6.07%). Functionalization is found to enhance interfacial interaction energy and hydrogen bond density, optimize phonon matching, and promote the transfer of low-frequency phonons across the interface. Appropriate functional group coverage facilitates hydrogen bond formation and interfacial compatibility, while excessive coverage results in spatial hindrance and stronger phonon scattering. This study provides theoretical guidance for optimizing the interfacial thermal management of polymer-based phase change materials.

为了提高相变材料的储能效率，澄清高导热填料与相变材料之间的界面导热机理是至关重要的。本研究采用分子动力学模拟的方法，系统研究了石墨烯尺寸和含氧官能团对三种典型相变材料界面导热性能的影响。研究表明，石墨烯横向面积的增加会不断增强界面导热性，直到达到平台值，因为更多的长波声子被促进参与界面耦合。当含氧官能团的覆盖率达到50%时，硬脂酸体系和硬脂醇体系的界面导热系数分别显著提高了22.71%和20.86%，超过了石蜡体系的6.07%。功能化可以提高界面相互作用能和氢键密度，优化声子匹配，促进低频声子在界面上的转移。适当的官能团覆盖有利于氢键的形成和界面相容性，而过度的覆盖会导致空间阻碍和更强的声子散射。该研究为优化聚合物基相变材料的界面热管理提供了理论指导。

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引用次数: 0

Estimation of effective thermal conductivity and optimization design of pore structures in aerated concrete using Monte Carlo, finite element, and bat algorithm 基于蒙特卡罗、有限元和bat算法的加气混凝土有效导热系数估算和孔隙结构优化设计

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-02-02 DOI: 10.1016/j.icheatmasstransfer.2026.110660

Wei Chen , Yingying Wang , Mengmeng Bian , Sardor Eshmamatov , Hanyu Jiang , Chenjun Ding , Chao Jiang

Based on the variations in pore structure patterns and characteristics of aerated concrete at different porosity levels, this study improves the Monte Carlo method to accurately characterize the quasi-spherical macropore structure features of aerated concrete, and reconstructs the pore structure under combined conditions of porosity, pore size, and pore aspect ratio. A prediction method for the effective thermal conductivity of aerated concrete is proposed based on the Monte Carlo method combined with the finite element method, achieving an average relative error of only 7.16% compared to experimental values. The relationship between pore structure parameters and effective thermal conductivity is computed and obtained. Furthermore, the optimal set of pore structure parameters in aerated concrete has been determined across varying porosity levels through integration of the bat algorithm. Results indicate that the maximum fluctuation percentages in the effective thermal conductivity caused by variations in pore size and pore aspect ratio are 34.51% and 42.44%, respectively. Under high-porosity conditions, the optimal pore size design parameter is below 120 μm, while the optimal pore aspect ratio design parameter is approximately 1.5.

基于不同孔隙率水平下加气混凝土孔隙结构形态和特征的变化，本研究改进蒙特卡罗方法，准确表征加气混凝土的准球形大孔结构特征，并在孔隙率、孔径大小和孔隙纵横比的组合条件下重构孔隙结构。提出了一种基于蒙特卡罗法与有限元法相结合的加气混凝土有效导热系数预测方法，与实验值相比平均相对误差仅为7.16%。计算并得到了孔隙结构参数与有效导热系数之间的关系。此外，通过整合bat算法，确定了不同孔隙率水平下加气混凝土的最优孔隙结构参数集。结果表明：孔隙大小和孔隙纵横比变化对有效导热系数的影响最大，分别为34.51%和42.44%；在高孔隙度条件下，最佳孔径设计参数小于120 μm，最佳孔径长径比设计参数约为1.5。

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引用次数: 0

Influence of void defect on the thermal transport properties of α-RDX: Insights from molecular dynamics simulations 空隙缺陷对α-RDX热输运性质的影响：来自分子动力学模拟的见解

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-02-02 DOI: 10.1016/j.icheatmasstransfer.2026.110694

Shengshu Xi, Jie Lu, Xiaona Huang

Efficient thermal transport in energetic molecular crystals is essential for controlling heat accumulation, mitigating unintended ignition, and ensuring safe operation under thermal stimuli. Among these materials, α-RDX (1,3,5-trinitro-1,3,5-triazine) is widely used in aerospace and defense systems, yet its thermal conduction mechanisms remain insufficiently understood, particularly under porous and thermomechanical modifications. In this work, we employ non-equilibrium molecular dynamics (NEMD) simulations to systematically investigate how porosity, temperature, mechanical compression, and pore configuration affect the thermal conductivity of α-RDX with void defects. We demonstrate that increasing porosity results in a monotonic decline in thermal conductivity, driven by intensified phonon–pore boundary scattering. Under external stimuli such as elevated temperature and pressure, our results reveal that thermal conductivity decreases with increasing temperature due to enhanced phonon–phonon Umklapp scattering, as confirmed by phonon density of states (PDOS) analysis. In contrast, mechanical compression restores thermal conductivity by improving interatomic contact and reducing phonon-interface resistance. In addition, at fixed porosity, ordered pore configurations introduce greater scattering anisotropy than random arrangements, leading to more pronounced reductions in heat conduction. These findings provide quantitative insights into phonon transport in structurally disordered molecular crystals, and establish guiding principles for tailoring the thermal behavior of energetic materials to enhance thermal reliability and safety in extreme environments.

在高能分子晶体中，有效的热传递对于控制热量积累、减轻意外点火和确保热刺激下的安全运行至关重要。在这些材料中，α-RDX（1,3,5-三硝基-1,3,5-三嗪）广泛应用于航空航天和国防系统，但其热传导机制尚未得到充分的了解，特别是在多孔和热机械改性下。在这项工作中，我们采用非平衡分子动力学（NEMD）模拟系统地研究了孔隙度、温度、机械压缩和孔隙结构如何影响具有孔洞缺陷的α-RDX的导热性。我们证明了孔隙度的增加会导致热导率的单调下降，这是由声子孔边界散射加剧引起的。在温度和压力升高等外部刺激下，我们的研究结果表明，由于声子-声子Umklapp散射增强，热导率随温度升高而降低，声子态密度（PDOS）分析证实了这一点。相比之下，机械压缩通过改善原子间接触和减少声子界面电阻来恢复导热性。此外，在孔隙率固定的情况下，有序的孔隙结构比无序的孔隙结构引入了更大的散射各向异性，从而导致更明显的热传导降低。这些发现为结构无序分子晶体中的声子输运提供了定量的见解，并为调整含能材料的热行为建立了指导原则，以提高极端环境下的热可靠性和安全性。

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引用次数: 0

The direct RBF-PU method based on Lagrangian framework for parabolic equations on isotropic and anisotropic growth surfaces 基于拉格朗日框架的各向同性和各向异性生长面上抛物方程直接RBF-PU方法

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-02-02 DOI: 10.1016/j.icheatmasstransfer.2026.110716

Yajun Liu , Longyuan Wu

In this article, we develop a novel direct radial basis function partition of unity (D-RBF-PU) method to simulate the parabolic equations on isotropic and anisotropic growth surfaces. Our approach approximates the Laplace–Beltrami operator on the surface by combining anisotropic radial basis functions with the iterated derivative approximation technique. Additionally, to employ larger time steps, the third order implicit–explicit backward differentiation (BDF3) method is used for time discretization. The advantage of this new method is that it eliminates the need to reconstruct local influence domains at every time step. The numerical experimental results confirm that our proposed method achieves both reduced computational cost and improved accuracy compared to the RBF-FD method and the D-RBF-PU method. We also solve the Schnakenberg model on isotropic and anisotropic growth surfaces to demonstrate the long-term stability of the proposed method.

在本文中，我们提出了一种新的直接径向基函数划分统一（D-RBF-PU）方法来模拟各向同性和各向异性生长表面上的抛物方程。该方法将各向异性径向基函数与迭代导数逼近技术相结合，逼近曲面上的Laplace-Beltrami算子。此外，为了采用更大的时间步长，三阶隐式显式后向微分（BDF3）方法用于时间离散化。该方法的优点是不需要在每个时间步重构局部影响域。数值实验结果表明，与RBF-FD方法和D-RBF-PU方法相比，该方法既降低了计算成本，又提高了精度。我们还在各向同性和各向异性生长表面上求解Schnakenberg模型，以证明所提出方法的长期稳定性。

引用次数: 0

Analytical solution of fully coupled photo-thermoelastic interaction in semiconductor media with cylindrical cavities 圆柱形腔半导体介质中完全耦合光-热弹性相互作用的解析解

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-01-31 DOI: 10.1016/j.icheatmasstransfer.2026.110641

Areej Almuneef , Ibrahim Abbas , Zuhur Alqahtani

This study explores wave propagation behavior in semiconductor media during photo-thermoelastic interactions by employing a theoretical model that integrates the effects of plasma and thermoelastic waves. The model involves a complete photothermoelastic approach designed for homogeneous, isotropic semiconductor materials. The material in question is an infinite isotropic elastic semiconductor with a cylindrical cavity. The inner boundary of the cavity is mechanically restricted and an exponentially decaying heat flux, applied at the boundary, generates carrier concentration. To derive exact solutions, the analysis simulates the mathematical interactions using the Laplace transforms and the eigenvalue method. Numerical simulations have been conducted, using the properties of silicon-like materials, and the results have been generated in graphs. The results show that the interactions of the thermal, elastic, and plasma fields are predominantly governed by the thermal activation coupling parameter which significantly modifies the spatial profiles of the physical variables under study.

本研究通过采用集成等离子体和热弹性波效应的理论模型，探讨了光-热弹性相互作用过程中半导体介质中的波传播行为。该模型涉及一个完整的光热弹性方法，专为均匀，各向同性半导体材料。所讨论的材料是具有圆柱形腔的无限各向同性弹性半导体。腔的内边界受到机械限制，在边界处施加指数衰减的热通量，产生载流子浓度。为了得到精确的解，分析用拉普拉斯变换和特征值法模拟了数学上的相互作用。利用类硅材料的性质进行了数值模拟，并以图形形式生成了结果。结果表明，热场、弹性场和等离子体场的相互作用主要受热激活耦合参数的控制，热激活耦合参数显著地改变了所研究的物理变量的空间分布。

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引用次数: 0

Parametric analysis of pressure drop characteristics in oil-gas two-phase flow through a rectangular helical channel 矩形螺旋通道油气两相流压降特性参数分析

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-01-31 DOI: 10.1016/j.icheatmasstransfer.2026.110640

Xianfei Liu , Hui Zhang , Fang Wang , Guodong Xia , Caixia Zhu , Zhiqiang Li

The internal flow loss in the screw channel significantly influences the ability of expanders. This study presents novel findings on the pressure drop characteristics of non-isothermal oil-gas two-phase flow using a two-fluid Eulerian-Eulerian model. It examines the pressure field development and the effects of parameters such as flow deflection angle, gravitational direction, surface tension coefficient, curvature ratio, dimensionless pitch, and temperatures of air and lubricating oil on the two-phase pressure drop. Results show that increasing the gas flow rate corresponds with an increase in the pressure drop, whereas an increase in the lubricating oil flow rate leads to a reduction in the pressure drop. The minimum pressure drop occurs at a curvature ratio of 0.129, and increasing the dimensionless pitch from 0.3 to 0.9 raises the pressure drop by 6.69 kPa/m. The minimum two-phase pressure drop is observed in the -X direction. An increase in the surface tension coefficient from 0.023 to 0.096 results in an 11.08% reduction in the pressure drop per unit length. Additionally, raising the initial air and oil temperatures reduces the two-phase pressure drop by 9.17% and 35.93%, respectively. These findings provide important insights for the efficient operation of single screw expanders and further research in multiphase flow theory.

螺旋通道内流动损失对膨胀机的性能影响较大。本文采用双流体欧拉-欧拉模型研究了非等温油气两相流的压降特性。考察了压力场的发展，以及流动偏转角、重力方向、表面张力系数、曲率比、无量纲螺距、空气温度和润滑油温度等参数对两相压降的影响。结果表明：气体流量的增加对应于压降的增大，而润滑油流量的增加对应于压降的减小。曲率比为0.129时压降最小，将无量纲节距从0.3增加到0.9，压降增加6.69 kPa/m。在-X方向观察到最小的两相压降。将表面张力系数从0.023提高到0.096，单位长度压降降低11.08%。此外，提高空气和油的初始温度可使两相压降分别降低9.17%和35.93%。这些发现对单螺杆膨胀机的高效运行和多相流理论的进一步研究具有重要意义。

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引用次数: 0

Enhancing CO2 adsorption and PSA refrigeration efficiency with activated carbon–graphene nanoplatelet composites: Insights from statistical physics 活性炭-石墨烯纳米板复合材料提高CO2吸附和PSA制冷效率：来自统计物理学的见解

IF 6.4 2区工程技术 Q1 MECHANICS

International Communications in Heat and Mass Transfer

Pub Date : 2026-01-31 DOI: 10.1016/j.icheatmasstransfer.2026.110644

Wouroud Sghaier , Yosra Ben Torkia , Fatma Aouaini , Badriah A. Altamimi , Tahani Alrebdi , Abdelmottaleb Ben Lamine

The growing demand for sustainable cooling has renewed interest in adsorption-based refrigeration as a promising complement to conventional vapor-compression systems. In this study, CO₂ adsorption on three activated carbon/graphene nanoplatelet (GNP) composites prepared using a polyvinyl alcohol (PVA) binder was analyzed using three grand canonical statistical physics (GCSP) models, with the best-performing model selected based on the highest coefficient of determination (R²). The results indicate that a dual-layer adsorption mechanism with two distinct energy levels provides the best description of CO₂ uptake across all adsorbents. Steric analysis suggests that CO₂ molecules preferentially adopt a parallel orientation relative to the substrate surface. Temperature-dependent adsorption parameters reveal variations in site occupancy, accessible site density, and adsorption strength. The low anchoring energies confirm that non-covalent interactions dominate the adsorption process. Internal energy and Helmholtz free energy derived from the selected GCSP model were applied to a pressure-swing adsorption (PSA) cooling cycle, yielding predicted coefficients of performance (COP) of 0.52, 0.64, and 0.68 at 343 K during the isothermal adsorption step for the three composites, respectively. These findings demonstrate that the GCSP framework effectively links microscopic adsorption behavior to macroscopic refrigeration performance and highlight the potential of PSA operation to enhance adsorption-based cooling systems.

对可持续制冷日益增长的需求重新引起了人们对基于吸附的制冷的兴趣，作为传统蒸汽压缩系统的一种有希望的补充。在这项研究中，使用三个大规范统计物理（GCSP）模型分析了用聚乙烯醇（PVA）粘合剂制备的三种活性炭/石墨烯纳米血小板（GNP）复合材料对CO2的吸附，并根据最高的决定系数（R2）选择了表现最佳的模型。结果表明，具有两个不同能级的双层吸附机制可以最好地描述所有吸附剂对CO2的吸收。空间分析表明CO2分子优先采用相对于底物表面平行的取向。温度相关的吸附参数揭示了位点占用、可达位点密度和吸附强度的变化。低锚定能证实了非共价相互作用主导了吸附过程。将GCSP模型得到的内能和亥姆霍兹自由能应用于变压吸附（PSA）冷却循环，在343 K等温吸附过程中，三种复合材料的预测性能系数（COP）分别为0.52、0.64和0.68。这些发现表明，GCSP框架有效地将微观吸附行为与宏观制冷性能联系起来，并突出了PSA操作增强吸附冷却系统的潜力。

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引用次数: 0