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Automated Comparative Image Analysis for Density Measurement of Molten Liquid Metal Droplets in Electrostatic Levitation 静电悬浮中熔融金属液滴密度测量的自动对比图像分析
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-17 DOI: 10.1007/s10765-026-03717-7
Fan Ye, Yong Liu, Rongfeng Li, Jiahao Xie, Tianjiao Liang, Ruiqiang Zhang, Haitao Hu, Leyi Liu, Zhangheng Sun, Junpei Zhang, Hui Cheng, Bo Bai, Bao Yuan, Mengjia Dou, Zheng Wei, Xin Tong

Reliable density measurements of molten metals are crucial in understanding the evolution and formation of their phase structures. However, they are very challenging with container methods due to the possible parasitic reactions, wetting and meniscus formation, biased volume estimates, etc. Electrostatic levitation (ESL) is a containerless technique that alleviates these limitations while keeping the molten metals close to spheres for accurate volume measurements. This paper uses image analysis techniques to perform single-view bidirectional diameter extraction of non-ideal spherical specimens in ESL through ellipse fitting and Legendre polynomial fitting. More importantly, the proposed single-camera single-view workflow can reach an accuracy level comparable to dual-camera 3D reconstruction approaches reported in the literature, while requiring only one optical access. After image inversion, edge detection, and contour extraction, the droplet contour is fitted using two models: an ellipse and a Legendre polynomial curve. From these fits, the horizontal and vertical diameters are obtained and used to estimate the droplet volume. To make the workflow practical for large datasets, we implemented the entire pipeline in code and developed a fully automated batch program. It processes all images in a folder without manual intervention, generates annotated output images for each frame, and exports the key measurement results to an Excel file. Tests on heating–cooling images of levitated zirconium show that both fitting methods work reliably, while ellipse fitting is typically more stable when the contour is clean and continuous. Overall, the proposed approach improves the efficiency and consistency of diameter/volume extraction and supports high-throughput analysis for thermophysical property characterization.

熔融金属的可靠密度测量对于理解其相结构的演变和形成至关重要。然而,由于可能的寄生反应、湿润和半月板形成、有偏差的体积估计等原因,容器方法非常具有挑战性。静电悬浮(ESL)是一种无容器技术,它缓解了这些限制,同时保持熔融金属靠近球体,以进行精确的体积测量。本文利用图像分析技术,通过椭圆拟合和勒让德多项式拟合,对非理想球面样本进行单视图双向直径提取。更重要的是,所提出的单摄像头单视图工作流可以达到与文献中报道的双摄像头3D重建方法相当的精度水平,而只需要一个光学通道。经过图像反演、边缘检测和轮廓提取,利用椭圆和勒让德多项式曲线两种模型拟合液滴轮廓。从这些拟合,得到水平和垂直直径,并用于估计液滴体积。为了使工作流适用于大型数据集,我们在代码中实现了整个管道,并开发了一个全自动批处理程序。它在一个文件夹中处理所有图像,无需人工干预,为每一帧生成带注释的输出图像,并将关键测量结果导出到Excel文件中。对悬浮锆加热-冷却图像的实验表明,两种拟合方法都是可靠的,而椭圆拟合在轮廓干净连续的情况下更为稳定。总的来说,该方法提高了直径/体积提取的效率和一致性,并支持热物性表征的高通量分析。
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引用次数: 0
Experimental and Computational Insights into the Thermophysical Properties of Glycerol and Triethanolamine Mixtures 甘油和三乙醇胺混合物热物理性质的实验和计算研究
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1007/s10765-026-03712-y
Evis Muzhaqi, Aycan Altun Kavaklı, Osman Nuri Şara, M. Ferdi Fellah

The density and viscosity of binary mixtures of triethanolamine (TEA) and glycerol were investigated over the full composition range at temperatures from 293.15 K to 323.15 K, under atmospheric pressure. The experimentally measured density and viscosity data were correlated with temperature-dependent equations. The excess molar volume (VE) and viscosity deviation (Δη) were determined and fitted using the Redlich–Kister polynomial equation. In addition, thermodynamic parameters, including partial molar volumes, apparent molar volumes, and thermal expansion coefficients, were evaluated to provide further insight into the mixing behavior of the system. Negative values of VE and Δη were observed over the entire range of temperatures and compositions investigated, indicating the presence of strong specific interactions between TEA and glycerol molecules. These interactions were further elucidated through Density Functional Theory (DFT) calculations. The computational results are consistent with the experimental observations, providing molecular-level support for the non-ideal volumetric and viscosity behavior of the mixtures.

研究了三乙醇胺(TEA)和甘油二元混合物在293.15 ~ 323.15 K的常压下的密度和粘度。实验测量的密度和粘度数据与温度相关方程相关。利用Redlich-Kister多项式方程确定并拟合了过量摩尔体积(VE)和粘度偏差(Δη)。此外,热力学参数,包括偏摩尔体积、表观摩尔体积和热膨胀系数,进行了评估,以进一步了解系统的混合行为。在研究的整个温度和成分范围内,观察到VE和Δη的负值,表明TEA和甘油分子之间存在强烈的特异性相互作用。通过密度泛函理论(DFT)计算进一步阐明了这些相互作用。计算结果与实验结果一致,为混合物的非理想体积和粘度行为提供了分子水平的支持。
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引用次数: 0
Thermodynamic Properties of 3,3,3-Trifluoropropene and Polyol Ester Lubricant Mixtures 3,3,3-三氟丙烯与多元醇酯润滑油混合物的热力学性质
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1007/s10765-026-03708-8
Yanjun Sun, Haiqi Zheng, Daoyi Guo, Gengguang Qin, Dianbo Xin, Rongkun Gao, Xinyi Liu, Chang Gang, Xiaopo Wang, Maogang He

This study investigates the thermophysical characteristics of binary mixtures involving the low-global warming potential refrigerant 3,3,3-trifluoropropene (R-1243zf) and two polyol ester (POE) lubricants (RL 32 and RL 68). Experimental measurements of solubility, liquid density, and dynamic viscosity were conducted over a temperature range of 298–353 K. These outcomes imply that R-1243zf exhibits complete miscibility with both POE oils across the studied conditions, with higher solubility observed in POE RL 32 compared to POE RL 68. The dissolution of R-1243zf significantly reduces the flow characteristics of the lubricants, particularly in the oil-rich phase, while its effect on liquid density is relatively minor. A satisfactory correlation of the phase equilibrium data was achieved with the non-random two-liquid model, and mixture densities and viscosities were accurately represented using an excess-property approach combined with Redlich–Kister expansions. Additionally, Daniel charts were constructed to illustrate the viscosity–pressure–temperature–concentration relationships for both mixtures, providing practical guidance for the selection of lubricating oils in R-1243zf-based refrigeration systems. The findings suggest that POE RL 68 offers better viscosity retention under high-temperature conditions, making it more suitable for severe operating environments.

本文研究了低全球变暖潜势制冷剂3,3,3-三氟丙烯(R-1243zf)和两种多元醇酯(POE)润滑剂(RL 32和RL 68)二元混合物的热物理特性。在298-353 K的温度范围内进行了溶解度,液体密度和动态粘度的实验测量。这些结果表明,在研究条件下,R-1243zf与两种POE油都表现出完全的混溶性,与POE RL 68相比,在POE RL 32中的溶解度更高。R-1243zf的溶解显著降低了润滑油的流动特性,特别是在富油相,而其对液体密度的影响相对较小。相平衡数据与非随机双液模型的相关性令人满意,混合密度和粘度使用过量性质方法结合Redlich-Kister展开得到了准确的表示。此外,构建了Daniel图来说明两种混合物的粘度-压力-温度-浓度关系,为r -1243zf制冷系统中润滑油的选择提供了实用指导。研究结果表明,POE RL 68在高温条件下具有更好的粘度保持性,使其更适合恶劣的操作环境。
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引用次数: 0
Microstructure and Thermal Properties of Solid Bi–Ge Alloys 固体Bi-Ge合金的显微组织和热性能
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1007/s10765-026-03711-z
Dragan Manasijević, Ivana Marković, Uroš Stamenković, Milena Zečević, Veljko Minić, Milan Gorgievski, Aleksandar Đorđević

Microstructures and thermal properties of solid alloys of the Bi–Ge system with a Ge content of 15.1 at.%, 40.8 at.%, 51.8 at.%, 70.3 at.%, and 85.4 at.% were investigated in the present study. Microstructural analysis was performed using scanning electron microscopy (SEM) combined with energy dispersive spectrometry (EDS). It was noticed that phase morphology of the primary germanium varies based on alloy composition from polygonal faceted to plate- and rod-like structures. Thermal diffusivity was measured by the xenon flash method in the temperature interval from 25 °C to 150 °C. The nearly constant thermal conductivity in the range of about 7 W·m−1·K−1 to 9 W·m−1·K−1 was observed over a wide compositional interval of Bi–Ge alloys, followed by its rapid increase with higher Ge content. Thermal conductivity of the studied alloys slightly decrease with the temperature increasing. Density dependence on composition at room temperature was determined using indirect Archimedean method. The obtained results from the alloy’s density measurements indicate the existence of a positive excess volume. Phase transition temperatures and latent heat of eutectic melting were measured using differential scanning calorimetry (DSC) and compared with the results of thermodynamic calculation based on the CALPHAD (calculation of phase diagram) method. Empirical equation for the estimation of the latent heat for Bi–Ge alloys was obtained.

Ge含量为15.1 at时Bi-Ge系固体合金的显微组织和热性能。%, 40.8 at。%, 51.8 at。%, 70.3 at。%, 85.4 %。%进行了研究。采用扫描电镜(SEM)结合能谱仪(EDS)对样品进行微观结构分析。注意到初生锗的相形态随合金成分的不同而变化,从多角形到板状和棒状。在25 ~ 150℃的温度区间内,用氙气闪蒸法测量了热扩散系数。在较宽的成分区间内,Bi-Ge合金的导热系数在7 W·m−1·K−1 ~ 9 W·m−1·K−1范围内基本保持恒定,随着Ge含量的增加,导热系数迅速增大。随着温度的升高,合金的导热系数略有降低。用间接阿基米德法测定了室温下成分对密度的依赖性。由合金密度测量得到的结果表明存在正的过剩体积。采用差示扫描量热法(DSC)测量了共晶熔化的相变温度和潜热,并与基于相图计算法(CALPHAD)的热力学计算结果进行了比较。得到了估算Bi-Ge合金潜热的经验公式。
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引用次数: 0
Method to Tailor a (Cubic) Four-Parameter Equation of State to a Reference Thermodynamic Property Formulation: Application to Water, Argon, and Propane 将(三次)四参数状态方程调整为参考热力学性质公式的方法:应用于水、氩气和丙烷
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1007/s10765-026-03705-x
Jan Hrubý, Aleš Blahut

Multiparameter equations of state (MP EOSs) are available for many fluids. Despite their accuracy, they are not suitable for all applications. In contrast to MP EOSs, cubic equations offer a Van der Waals loop with a single inflection, which is suitable for modeling phase interfaces. They are also amiable for modeling mixtures. We present a method of tailoring a cubic equation of state to a MP EOS. Four temperature-dependent parameters of the previously developed Generalized 4-Parameter Cubic Equation of State (G4C EOS) are matched to the second virial coefficient, liquid density, compressibility, and Gibbs energy. Consequently, the G4C EOS is more accurate than conventional cubic equations of state. The liquid properties are matched along a “sew-on line”, which coincides with the saturated liquid density at lower reduced temperatures and bypasses the critical region. The method is tested for argon, propane, and water. The range of temperatures in which the parameters of G4C EOS can be determined (feasibility interval) covers the validity range of the reference MP EOS with exception for water, where the high-temperature limit is 754 K or 909 K depending on the variant of data used for the second virial coefficient. Parameters of the G4C EOS and ideal gas properties are tabulated in the Supplementary Information and an interpolation scheme is provided. All thermodynamic properties can be computed for the tested fluids with provided relations and tables. Since the method has been successfully applied to three fluids with very different molecular interactions, we assume that it is applicable to a wide range of fluids. It can also be used to other equations of state with four temperature-dependent parameters.

多参数状态方程(mps EOSs)可用于许多流体。尽管它们很精确,但它们并不适用于所有应用。与MP EOSs相比,三次方程提供了一个具有单个弯曲的范德瓦尔斯环,适合于建模相界面。它们对于模拟混合物也很友好。我们提出了一种将三次状态方程裁剪为mpeos的方法。先前开发的广义四参数三次状态方程(G4C EOS)的四个温度相关参数与第二维里系数、液体密度、可压缩性和吉布斯能量相匹配。因此,G4C EOS比传统的三次状态方程更精确。液体性质沿着“缝上线”匹配,这与较低还原温度下饱和液体密度一致,并绕过临界区域。该方法对氩气、丙烷和水进行了测试。G4C EOS参数可确定的温度范围(可行性区间)涵盖了参考MP EOS的有效范围,但水除外,其高温极限为754 K或909 K,具体取决于用于第二维里系数的数据的变化。在补充资料中列出了G4C的EOS参数和理想气体性质,并给出了一种插补方案。根据所提供的关系式和表格,可以计算被测流体的所有热力学性质。由于该方法已成功应用于具有非常不同分子相互作用的三种流体,我们假设它适用于广泛的流体。它也可用于具有四个温度相关参数的其他状态方程。
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引用次数: 0
Optimization of Proton Exchange Membrane Fuel Cells: Performance Trade-off Analysis Based on Electrochemical Impedance Spectroscopy and Entropy Generation Rate 质子交换膜燃料电池的优化:基于电化学阻抗谱和熵产率的性能权衡分析
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-02 DOI: 10.1007/s10765-026-03710-0
Yaorui Shen, Jianqin Fu, Chao Li

Proton exchange membrane fuel cell (PEMFC) faces inherent trade-offs among efficiency, durability, and stability, especially under wide operating conditions. Achieving multi-objective collaborative optimization under wide operating conditions remains a key engineering challenge. To address the above challenges, this study investigates the effects of temperature and back pressure on performance through electrochemical impedance spectroscopy (EIS), electrode kinetics, and entropy generation analysis. A physics-based model is developed to support fault diagnosis and durability assessment. A performance trade-off analysis is conducted from the perspectives of power output, energy consumption, and operational stability. From an electrochemical perspective, temperature primarily affects the intrinsic exchange current density and the transport activity of water/protons, while back pressure mainly regulates the partial pressure of reactants and mass transfer processes. Further systematic investigation of exergy losses inside the PEMFC from the perspective of irreversible thermodynamics reveals that the cathode, anode, and membrane are the primary sources of these irreversible losses. Moreover, entropy production varies exponentially with temperature and exhibits a linear dependence on pressure. All these provide mechanistic foundations for performance optimization strategies in PEMFC engineering.

质子交换膜燃料电池(PEMFC)面临着效率、耐久性和稳定性之间的内在权衡,特别是在广泛的工作条件下。在大工况下实现多目标协同优化仍然是一个关键的工程挑战。为了解决上述挑战,本研究通过电化学阻抗谱(EIS)、电极动力学和熵生成分析来研究温度和背压对性能的影响。建立了基于物理的故障诊断和耐久性评估模型。从功率输出、能耗和运行稳定性方面进行性能权衡分析。从电化学角度看,温度主要影响本征交换电流密度和水/质子输运活性,背压主要调节反应物分压和传质过程。从不可逆热力学的角度进一步系统地研究了PEMFC内部的火用损失,发现阴极、阳极和膜是这些不可逆损失的主要来源。此外,熵产随温度呈指数变化,与压力呈线性关系。这些都为PEMFC工程中的性能优化策略提供了机理基础。
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引用次数: 0
Thermal Analysis of Combustion and Carbonization of Wax-Treated Pine Wood for Sustainable Building Applications 可持续建筑中蜡处理松木燃烧和碳化的热分析
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-02 DOI: 10.1007/s10765-026-03714-w
Jongshin Lee, Su-Gwang Jeong, Jaehee Jung, Jeonghun Lee

Hydrophobic wax is commonly used to enhance the dimensional stability of wood; however, its influence on the thermal and combustion behavior of wood under controlled heat flux conditions remains insufficiently understood. This study investigates the ignition, mass-loss characteristics, and carbonization behavior of pine wood pressure impregnated with paraffin and polyethylene (PE) waxes using a mass loss calorimeter at 50 kW·m−2. Scanning electron microscopy (SEM) was employed to examine wax penetration and structural degradation before and after combustion. PE wax-treated specimens exhibited the longest time to ignition and the lowest mass loss, indicating superior thermal stability compared to untreated and paraffin wax-treated wood. Wax-filled lumens burned off prior to cell wall degradation, allowing the wood matrix to retain its structural morphology during combustion. Surface cracking and carbonization depth were significantly reduced in wax-treated specimens, particularly those treated with PE wax. These findings demonstrate that wax modification can delay thermal decomposition and improve combustion resistance, suggesting the potential of wax-treated timber as a bio-based material with improved combustion resistance for sustainable building applications.

疏水性蜡常用来增强木材的尺寸稳定性;然而,在受控的热通量条件下,它对木材的热和燃烧行为的影响仍然没有得到充分的了解。本研究采用质量损失量热计,在50 kW·m−2的温度下,研究了石蜡和聚乙烯(PE)蜡加压浸渍松木的着火、失重特性和碳化行为。利用扫描电镜(SEM)观察了燃烧前后蜡的渗透和结构降解情况。PE蜡处理的木材表现出最长的着火时间和最低的质量损失,表明与未经处理和石蜡处理的木材相比,具有更好的热稳定性。蜡填充的管腔在细胞壁降解之前燃烧掉,使木材基质在燃烧过程中保持其结构形态。蜡处理的样品,特别是PE蜡处理的样品,表面开裂和碳化深度显著降低。这些发现表明,蜡改性可以延缓热分解并提高燃烧性能,这表明蜡处理木材作为一种生物基材料的潜力,可以改善可持续建筑的燃烧性能。
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引用次数: 0
Thermal Bridge Transfer Function Model (TBTFM) for Dynamic Heat Flux Analysis in Building Energy Simulation 热桥传递函数模型(TBTFM)用于建筑能量模拟中动态热流密度分析
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-02 DOI: 10.1007/s10765-025-03692-5
Heegang Kim, Jihye Kim

Building Energy Simulation (BES) typically represents heat transfer through building envelopes using one-dimensional (1D) conduction models to maintain computational efficiency. However, this simplification prevents BES from capturing the dynamic thermal effects produced by thermal bridges (TBs), particularly in high-performance envelopes where localized heat-flow paths significantly influence transient behavior. Existing approaches such as equivalent U-value methods overlook dynamic inertia effects, while detailed multi-dimensional simulations provide high fidelity but are too computationally demanding for whole-building analysis. To address this gap, this study develops a Thermal Bridge Transfer Function Model (TBTFM) that expresses transient TB heat flow in a compact linear time-invariant (LTI) form compatible with standard 1D BES frameworks. The model is constructed using system identification techniques applied to detailed 3D transient simulation data, enabling the dynamic influence of thermal bridges to be incorporated without modifying existing BES structures. Validation shows that the proposed TBTFM accurately reproduces TB heat-flux profiles with varying model orders, and that a third-order representation achieves an effective balance between accuracy and computational efficiency. The proposed approach provides a practical means to quantify the dynamic contribution of thermal bridges during transient periods, offering improved fidelity for building-energy assessments while preserving the simplicity of 1D BES workflows.

建筑能量模拟(BES)通常使用一维(1D)传导模型来表示通过建筑围护结构的传热,以保持计算效率。然而,这种简化使BES无法捕获热桥(TBs)产生的动态热效应,特别是在局部热流路径显著影响瞬态行为的高性能信封中。现有的方法如等效u值方法忽略了动态惯性效应,而详细的多维模拟提供了高保真度,但对于整个建筑的分析来说,计算量要求太高。为了解决这一差距,本研究开发了一个热桥传递函数模型(TBTFM),该模型以紧凑的线性时不变(LTI)形式表达瞬态TB热流,与标准1D BES框架兼容。该模型是利用系统识别技术构建的,该技术应用于详细的三维瞬态仿真数据,使热桥的动态影响能够在不修改现有BES结构的情况下纳入。验证表明,所提出的TBTFM能准确再现不同模型阶数下的TB热流密度分布,三阶表示在精度和计算效率之间取得了有效的平衡。提出的方法提供了一种实用的方法来量化热桥在瞬态期间的动态贡献,在保持1D BES工作流程的简洁性的同时,为建筑能源评估提供了更高的保真度。
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引用次数: 0
Bioinspired Heterostructured SiC Ceramic Matrix Composite Phase Change Materials with Anisotropic Phonon Transport Channels for High-Efficiency and Stable Thermal Energy Storage 具有各向异性声子传输通道的仿生异质结构SiC陶瓷基复合相变材料用于高效稳定的热能储存
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-20 DOI: 10.1007/s10765-026-03706-w
Shaoyu Liang, He Cui, Ruisi Gao, Pengfei Bai

Ceramic matrix composite phase change materials suffer from inherently low thermal conductivity due to solid particle contact limitations in ceramic skeleton, restricting concentrated solar energy storage applications. This study presents a bioinspired heterostructured composite that emulates the hierarchical sieve tube structures in Bombax ceiba vascular bundles to create anisotropic phonon transport channels. Integrating directionally aligned silicon carbide fibers within a porous SiC matrix via centrifugal flow-assisted alignment achieves three-dimensional anisotropic thermal conductivity. This design bypasses the high thermal resistance of sintered particle junctions using biomimetic "sieve plate-like" fiber networks. Elongated SiC fibers act as unidirectional heat conduits, minimizing phonon scattering at grain boundaries. At the expense of 9.4% total energy storage capacity, this anisotropic CPCM significantly optimized equipment performance in the required heat transfer direction. Compared to pure sodium acetate trihydrate and ordinary CPCM, the thermal conductivity in the expected direction improved by 281.19 % and 29.63 %, respectively. The energy storage rate increased by 60.54 % and 36.6 %. The maximum temperature difference in the heat transfer direction decreased by 50.39 % and 31.75 %, and the junction temperature difference reaching the working limit was reduced by 66.83 % and 52.18 %. Therefore, this CPCM efficiently and stably realized thermal energy storage, providing a research basis for building and distributed energy storage.

由于陶瓷骨架中固体颗粒接触的限制,陶瓷基复合相变材料固有的导热系数较低,限制了聚光太阳能储能的应用。本研究提出了一种仿生异质结构复合材料,该复合材料模拟了棉铃虫维管束中的分层筛管结构,以创建各向异性声子传输通道。将定向排列的碳化硅纤维集成在多孔碳化硅基体中,通过离心流辅助排列实现三维各向异性导热性。这种设计绕过了使用仿生“筛板状”纤维网络烧结颗粒结的高热阻。细长的碳化硅纤维作为单向热管,减少声子在晶界的散射。以9.4%的总储能容量为代价,该各向异性CPCM在所需的传热方向上显著优化了设备性能。与纯三水合乙酸钠和普通CPCM相比,预期方向导热系数分别提高281.19%和29.63%。储能率分别提高60.54%和36.6%。换热方向的最大温差减小了50.39%和31.75%,达到工作极限的结温差减小了66.83%和52.18%。因此,该CPCM高效稳定地实现了蓄热,为建筑和分布式储能提供了研究基础。
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引用次数: 0
Alcohol–Additive Ternary Mixtures for Sustainable Fuel Formulations: Experimental Excess Molar Enthalpy and Thermodynamic Modeling 可持续燃料配方的醇-添加剂三元混合物:实验过量摩尔焓和热力学模型
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-13 DOI: 10.1007/s10765-025-03682-7
Fatima Ezzahra Yatim, Khaoula Samadi, Mohamed Lifi, Fernando Aguilar, Fatima Ezzahrae M.’hamdi Alaoui

Fuel blends incorporating oxygenated additives are increasingly explored to enhance combustion efficiency and reduce greenhouse gas emissions. Understanding the thermodynamic behavior of such mixtures is essential for optimizing their formulation. In this study, the excess molar enthalpy (({H}_{m}^{E})) a key property reflecting molecular interactions and non-ideality was measured for four ternary blends containing 2-(2-methoxyethoxy)ethanol, 2-(2-ethoxyethoxy)ethanol, 2-methoxyethanol, and 2-phenoxyethanol, each mixed with ethanol, at 298.15 and 313.15 K under 0.1 MPa using a quasi-isothermal flow calorimeter. The experimental results were correlated using the Redlich–Kister, NRTL, and UNIQUAC models, while the predictive performance of the Modified UNIFAC (Dortmund) model was also assessed. Positive ({H}_{m}^{E}) values were obtained for all mixtures, indicating endothermic mixing and dominant dispersive–dipolar interactions. Among the applied models, the Redlich–Kister equation provided the best correlation with experimental data. The results contribute valuable thermodynamic benchmarks for modeling the energetics of oxygenated fuel blends and improving predictive approaches for complex liquid mixtures.

为了提高燃烧效率和减少温室气体排放,人们越来越多地探索含氧添加剂的燃料混合物。了解这类混合物的热力学行为对于优化其配方至关重要。在本研究中,使用准等温流量量热计测量了包含2-(2-甲氧基乙氧基)乙醇、2-(2-乙氧基乙氧基)乙醇、2-(2-乙氧基)乙醇、2-甲氧基乙醇和2-苯氧基乙醇的四种三元共混物在298.15 K和313.15 K下、0.1 MPa下的超摩尔焓(({H}_{m}^{E})),这是反映分子相互作用和非理想性的关键性质。使用Redlich-Kister、NRTL和UNIQUAC模型对实验结果进行相关性分析,同时对改进的UNIFAC (Dortmund)模型的预测性能进行评估。所有混合物的({H}_{m}^{E})值均为正,表明吸热混合和主要的色散-偶极相互作用。在应用的模型中,Redlich-Kister方程与实验数据的相关性最好。这些结果为模拟含氧燃料混合物的能量学和改进复杂液体混合物的预测方法提供了有价值的热力学基准。
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引用次数: 0
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