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Machine Learning-Driven Exogenous Neural Architecture for Thermal Flow Characterization of Nanofluid in Inclined Porous Absorber Pipes of Flat Plate Solar Collectors 平板太阳能集热器倾斜多孔吸收管中纳米流体热流表征的机器学习驱动外生神经结构
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-24 DOI: 10.1007/s10765-026-03724-8
Nabeela Anwar, Shiza Javaid, Muhammad Shoaib, Adiqa Kausar Kiani, Muhammad Asif Zahoor Raja

Fluid flow analysis in nanofluids within the absorbing pipe of a flat plate solar collector has implications in enhancing the strength of solar thermal energy systems, increasing the productivity of water and space heating units, and increasing the use of renewable energy in the industrial and condominium heating processes. The current study examines the effects of the inclination angle and porosity factor on the natural flow convection of a water–CuO nanofluid using an inclined cylindrical tube within a Flat-Plate Solar Collector (FPSC) system with measures the consequences of tilting angle and porosity of the porous medium to quantify the physical attributes of heat transfer and velocity. The Lobatto IIIA computing method is adopted to compute the dynamics of velocity and temporal distributions for the governing FPSC system by modulating parameters of interest including the Prandtl number, skin friction, Nusselt number, curvature parameter, Grashof number, and Reynolds number. A Lobatto IIIA data-driven neurostructure is designed using Deep Autoregressive Exogenous Neural Networks (DARX-NNs) trained with the Backpropagated Levenberg–Marquardt (BLM) algorithm, i.e., DARX-NNs-BLM for predictive solutions of FPSC systems. The FPSC dynamical systems restoration using the DARX-NNs-BLM technique is visually interpreted using juxtaposing time-series analysis and absolute error progression curves. The simulated results reveal mean squared errors ranging from 10–08 to 10–10 with further endorsement using heterogeneous error analysis on the histogram, and regression analytics for the numerous tendencies of the FPSC model. The DARX-NNs-BLM framework accurately replicates the temporal evolution and probabilistic features of FPSC systems, rendering a firm grounding for prospective studies into neurocomputational science pursuits.

平板太阳能集热器吸收管内纳米流体的流体流动分析对增强太阳能热能系统的强度、提高水和空间加热装置的生产率以及在工业和公寓加热过程中增加可再生能源的使用具有重要意义。本研究利用平板太阳能集热器(FPSC)系统中的倾斜圆柱形管,研究了倾角和孔隙度因素对水-铜纳米流体自然对流的影响,并测量了多孔介质的倾角和孔隙度的结果,以量化传热和速度的物理属性。采用Lobatto IIIA计算方法,通过调制普朗特数、表面摩擦、努selt数、曲率参数、Grashof数和雷诺数等感兴趣的参数,计算控制FPSC系统的速度和时间分布动力学。采用反向传播Levenberg-Marquardt (BLM)算法训练的深度自回归外源性神经网络(DARX-NNs),即用于FPSC系统预测解的DARX-NNs-BLM,设计了Lobatto IIIA数据驱动神经结构。利用时间序列分析和绝对误差级数曲线并置,直观地解释了使用DARX-NNs-BLM技术的FPSC动力系统恢复。模拟结果显示,均方误差范围为10-08至10-10,并使用直方图上的异构误差分析和回归分析对FPSC模型的众多趋势进行了进一步认可。DARX-NNs-BLM框架准确地复制了FPSC系统的时间演化和概率特征,为神经计算科学的前瞻性研究奠定了坚实的基础。
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引用次数: 0
Experimental study and modeling of binary mixtures of bromobenzene with alkan-1-ol (C1-C5) at a range of temperatures and atmospheric pressure 在一定温度和大气压下溴苯与烷烃-1-醇(C1-C5)二元混合物的实验研究和建模
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-24 DOI: 10.1007/s10765-026-03729-3
Fisnik Aliaj, Naim Syla, Ariel Hernández, Arbër Zeqiraj

Densities, sound speeds, excess molar volumes, and excess isentropic compressibilities were measured for binary mixtures of bromobenzene with methanol, ethanol, propan-1-ol, butan-1-ol, and pentan-1-ol over (293.15–333.15) K at atmospheric pressure. This work presents a systematic thermophysical study of bromobenzene + alkan-1-ol (C1-C5) mixtures conducted over a previously unexplored temperature range and providing the first unified dataset for the complete bromobenzene + alkan-1-ol (C1-C5) series. Excess properties were correlated using Redlich–Kister polynomials, providing insight into molecular interactions and packing effects. The Jouyban-Acree model accurately reproduced densities, sound speeds, isobaric thermal expansivities, and isentropic compressibilities, with average absolute percentage deviations below 0.53%. Densities were further modeled with the Perturbed-Chain Statistical Associating Fluid Theory, yielding an overall deviation of 0.20%. Nomoto’s relation outperformed Schaaff’s collision factor theory in predicting sound speeds, with an overall deviation of 1.54%. These results demonstrate the effectiveness of empirical and theoretical models in describing thermophysical behavior in bromobenzene + alkan-1-ol mixtures of varying chain length.

在(293.15-333.15)K的常压下,测量了溴苯与甲醇、乙醇、丙烷-1-醇、丁烷-1-醇和戊烷-1-醇的二元混合物的密度、声速、超额摩尔体积和超额等熵可压缩性。本研究对溴苯+烷烃-1-醇(C1-C5)混合物进行了系统的热物理研究,并在以前未开发的温度范围内进行了研究,为完整的溴苯+烷烃-1-醇(C1-C5)系列提供了第一个统一的数据集。利用Redlich-Kister多项式将多余性质关联起来,从而深入了解分子相互作用和填充效应。Jouyban-Acree模型精确地再现了密度、声速、等压热膨胀率和等熵压缩率,平均绝对百分比偏差低于0.53%。密度进一步用摄动链统计关联流体理论建模,总体偏差为0.20%。野本关系式在预测声速方面优于沙夫碰撞因子理论,总偏差为1.54%。这些结果证明了经验和理论模型在描述不同链长的溴苯+烷烃-1-醇混合物的热物理行为方面的有效性。
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引用次数: 0
Measurement of the Density of R1132a and CF3I Refrigerant Mixtures R1132a和CF3I制冷剂混合物密度的测量
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-24 DOI: 10.1007/s10765-026-03723-9
Seok Hwan Lee, Hyun-Seung Nam, Woong Kang, Sungjun Lee, Suyong Kwon

Due to the global warming issue, next-generation refrigerants having very low global warming potential (GWP) have been interesting increasingly. In order to develop high-profile refrigerants having GWP < 10, several thermophysical quantities, for examples, density, heat capacity, viscosity, and thermal conductivity, etc., should be measured precisely. R1132a and CF3I are substances with low-GWP that are being considered as potential alternative refrigerants. In this study, the density of their mixture was measured at various temperatures (-40 °C ~ 55 °C) and pressures (~ 70 bar) using a vibrating tube densimeter. The densities of R1132a and CF3I as single refrigerants were measured within the same temperature and pressure range, and these measurements were used to obtain the calibration coefficients for the vibrating tube densimeter. The measurement results for R1132a and CF3I as single refrigerants were compared with existing research and REFPROP results, with maximum deviations of 0.38% and 0.48%, respectively. Uncertainty evaluation was performed, and the maximum uncertainty was 0.6%. R1132a and CF3I were mixed in mass ratios of 75:25, 50:50, and 25:75, and the densities of these mixtures were measured at various temperatures and pressures. These measurement results, being the first of their kind globally, could aid in the development of equations of state for future alternative refrigerants.

由于全球变暖问题,具有极低全球变暖潜能值(GWP)的下一代制冷剂越来越受到关注。为了开发具有GWP <; 10的高规格制冷剂,需要精确测量密度、热容、粘度、导热系数等几个热物理量。R1132a和CF3I是具有低全球升温潜能值的物质,被认为是潜在的替代制冷剂。在本研究中,使用振动管密度计在不同温度(-40°C ~ 55°C)和压力(~ 70 bar)下测量了它们的混合物密度。在相同的温度和压力范围内,测量了R1132a和CF3I作为单一制冷剂的密度,并利用这些测量结果获得了振动管密度计的校准系数。将R1132a和CF3I作为单制冷剂的测量结果与已有研究和REFPROP结果进行比较,最大偏差分别为0.38%和0.48%。进行不确定度评定,最大不确定度为0.6%。R1132a和CF3I以75:25、50:50和25:75的质量比混合,并在不同的温度和压力下测量这些混合物的密度。这些测量结果是全球首例,可以帮助开发未来替代制冷剂的状态方程。
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引用次数: 0
Thermal Performance Optimization of Air-Cooled Battery Packs in Electric Vehicles: An Integrated CFD and Machine-Learning Approach 电动汽车风冷电池组热性能优化:CFD和机器学习集成方法
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-24 DOI: 10.1007/s10765-026-03719-5
Madhan Kumar Subramani, Sadees Mohan, Thiyagarajan Subramani, Anbalagan Sathishkumar, Sung Chul Kim

The present study compares different battery thermal management system (BTMS) designs for lithium-ion batteries using computational fluid dynamics (CFD) simulations, with battery packs modeled in SolidWorks considering realistic heat dissipation characteristics and flow behavior. Effective thermal regulation of lithium-ion batteries (LIBs) is essential to ensure the performance, reliability, and safety of electric vehicles (EVs). Radiator-based BTMS, which operates without a compressor, has recently gained prominence due to its lower energy consumption and efficient temperature control. LIB performance is highly sensitive to temperature-dependent parameters such as state of charge (SOC), self-discharge rate, and state of health (SOH), necessitating the maintenance of an optimal thermal window to enhance overall battery longevity. Three BTMS configurations were evaluated: Design 1, a basic flow arrangement; Design 2, an improved airflow design with enhanced vent placement; and Design 3, an optimized gradient cooling-channel configuration. All three designs successfully reduced the battery temperature from an initial 60 ℃, with Design 3 exhibiting the highest temperature drop of approximately 45.27 ℃ and maintaining a low spatial temperature variation (< 2 ℃) across the pack. Its balanced airflow distribution and improved thermal uniformity make it particularly suitable for high-ambient-temperature environments. To further evaluate predictive capabilities, machine-learning models including MLP-NN, XGBoost, SVR, Random Forest, Gradient Boosting, and a Stacked Hybrid model were developed. The Stacked Hybrid model achieved the highest accuracy with an R2 of 0.96 and the lowest mean square error, while XGBoost and Gradient Boosting showed stable convergence. In contrast, SVR and Random Forest models underperformed due to their reduced sensitivity to nonlinear thermal variations.

本研究使用计算流体动力学(CFD)模拟比较了锂离子电池的不同电池热管理系统(BTMS)设计,并在SolidWorks中建模电池组,考虑了实际的散热特性和流动行为。锂离子电池的有效热调节对于保证电动汽车的性能、可靠性和安全性至关重要。基于散热器的BTMS无需压缩机即可运行,最近因其较低的能耗和高效的温度控制而备受关注。LIB性能对温度相关参数(如荷电状态(SOC)、自放电率和健康状态(SOH))高度敏感,因此需要维护最佳热窗以提高电池的整体寿命。对三种BTMS配置进行了评估:设计1,基本流程安排;设计2,改进气流设计,增强通风口位置;设计3,优化的梯度冷却通道配置。这三种设计都成功地将电池温度从最初的60℃降低到了45.27℃,其中设计3的温度降幅最大,并且在电池组中保持了较低的空间温度变化(< 2℃)。其平衡的气流分布和改善的热均匀性使其特别适用于高温环境。为了进一步评估预测能力,开发了机器学习模型,包括MLP-NN、XGBoost、SVR、随机森林、梯度增强和堆叠混合模型。叠置混合模型的精度最高,R2为0.96,均方误差最低,而XGBoost和Gradient Boosting具有稳定的收敛性。相比之下,SVR和随机森林模型由于对非线性热变化的敏感性降低而表现不佳。
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引用次数: 0
Simultaneous Composition and Density Measurements of Two-Phase Methane + Propane Mixtures with a Composite Microwave Cavity 复合微波腔中两相甲烷+丙烷混合物的同时组成和密度测量
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-24 DOI: 10.1007/s10765-026-03715-9
Liam D. Tenardi, Matthew G. Hopkins, Markus Richter, Eric F. May, Paul L. Stanwix

Vapour–liquid equilibrium measurements are essential for developing equations of state, tuning binary interaction parameters, and improving the thermodynamic description of fluid mixtures. Conventionally, multiple apparatus are needed to quantify equilibrium phase behaviour and fluid properties, including composition, density, and phase fractions (quality). Using several different instruments to acquire the desired data can be laborious and increase measurement uncertainty. Microwave cavities are a promising technology capable of measuring these properties simultaneously in binary mixtures. Here, we apply recent advances in cavity design and signal processing to demonstrate measurements of phase volume fractions, compositions, and densities in mixtures of methane and propane at vapour–liquid equilibrium. Furthermore, we present an uncertainty analysis for phase composition and density measurements made with a single apparatus consisting of several microwave cavities and demonstrate levels of accuracy comparable to those obtained with conventional analytical techniques.

汽液平衡测量对于建立状态方程、调整二元相互作用参数和改进流体混合物的热力学描述是必不可少的。通常,需要多种仪器来量化平衡相行为和流体性质,包括成分、密度和相分数(质量)。使用几种不同的仪器来获取所需的数据可能是费力的,并增加测量不确定度。微波腔是一种很有前途的技术,能够在二元混合物中同时测量这些性质。在这里,我们应用了空腔设计和信号处理的最新进展来演示气液平衡状态下甲烷和丙烷混合物的相体积分数、成分和密度的测量。此外,我们提出了一个不确定度分析相组成和密度测量由几个微波腔组成的单一设备,并证明精度水平与传统的分析技术相当。
{"title":"Simultaneous Composition and Density Measurements of Two-Phase Methane + Propane Mixtures with a Composite Microwave Cavity","authors":"Liam D. Tenardi,&nbsp;Matthew G. Hopkins,&nbsp;Markus Richter,&nbsp;Eric F. May,&nbsp;Paul L. Stanwix","doi":"10.1007/s10765-026-03715-9","DOIUrl":"10.1007/s10765-026-03715-9","url":null,"abstract":"<div><p>Vapour–liquid equilibrium measurements are essential for developing equations of state, tuning binary interaction parameters, and improving the thermodynamic description of fluid mixtures. Conventionally, multiple apparatus are needed to quantify equilibrium phase behaviour and fluid properties, including composition, density, and phase fractions (quality). Using several different instruments to acquire the desired data can be laborious and increase measurement uncertainty. Microwave cavities are a promising technology capable of measuring these properties simultaneously in binary mixtures. Here, we apply recent advances in cavity design and signal processing to demonstrate measurements of phase volume fractions, compositions, and densities in mixtures of methane and propane at vapour–liquid equilibrium. Furthermore, we present an uncertainty analysis for phase composition and density measurements made with a single apparatus consisting of several microwave cavities and demonstrate levels of accuracy comparable to those obtained with conventional analytical techniques.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"47 3","pages":""},"PeriodicalIF":2.9,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-026-03715-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147341458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamic Properties of HFE-7300 HFE-7300的热力学性质
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-17 DOI: 10.1007/s10765-025-03700-8
Štefan Kocian, Erwin Knöbel, Sebastian Klink, Olga Prokopová, Pavel Vrbka, Miroslav Čenský, Michal Fulem, Květoslav Růžička, Markus Richter, Andreas Jäger, Václav Vinš, Vojtěch Štejfa

Hydrofluoroethers (HFEs) are considered promising replacements for the high global warming potential (GWP) per- and polyfluoroalkyl substances (PFAS) in refrigeration, heat transfer, and electronic cooling applications. However, the scarcity and inconsistency of available thermophysical property data have hindered their reliable implementation and modeling. This study reports a comprehensive experimental investigation of HFE-7300 (1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane), including measurements of critical properties, density, vapor pressure, isobaric heat capacity, and speed of sound over wide temperature and pressure ranges. The experiments were complemented by ab initio calculations of ideal-gas thermodynamic properties, resulting in a consistent dataset suitable for model development. Correlations for vapor pressure, density, and heat capacities were derived and mutually validated for internal thermodynamic consistency. These results provide a robust foundation for developing a multiparameter equation of state for HFE-7300, while the performance of cubic, PC-SAFT, and LKP equations of state was also evaluated as an interim approach.

氢氟醚(hfe)被认为是在制冷、传热和电子冷却应用中取代高全球变暖潜能值(GWP)的全氟烷基物质和多氟烷基物质(PFAS)的有希望的替代品。然而,可用热物性数据的稀缺性和不一致性阻碍了它们的可靠实现和建模。本研究报告了HFE-7300(1,1,1,2,2,3,4,5,5,5-十氟-3-甲氧基-4-(三氟甲基)戊烷)的综合实验研究,包括在宽温度和压力范围内的临界特性、密度、蒸汽压、等压热容量和声速的测量。实验与理想气体热力学性质的从头计算相辅相成,得到了适合模型开发的一致数据集。推导了蒸汽压、密度和热容的相关性,并相互验证了内部热力学一致性。这些结果为建立HFE-7300的多参数状态方程提供了坚实的基础,而立方、PC-SAFT和LKP状态方程的性能也作为一种过渡方法进行了评估。
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引用次数: 0
Controlling Microwave Energy Absorption in Aluminum Particle Compacts by Tuning the Crystallinity of the Alumina Shell 通过调整氧化铝壳的结晶度来控制铝颗粒压片中的微波能量吸收
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-17 DOI: 10.1007/s10765-026-03720-y
Evan Vargas, Mahmuda Ishrat Malek, Michelle L. Pantoya

Microwave-to-thermal energy conversion in aluminum particle compacts can be controlled by modifying the phase and thickness of the native alumina passivation shell. In this study, the alumina shell surrounding aluminum nanoparticles was altered through thermal annealing in air at 400 °C for thermal treatment times of 30, 60, 90, and 120 min. Transmission electron microscopy (TEM) revealed shell growth from an average thickness of 2.76 nm to 9.63 nm with increasing annealing time. Thermal treatment also induced a transition from an initially amorphous shell to increasingly crystalline alumina, as confirmed by X-ray Diffraction (XRD). Compacts fabricated from the annealed powders were exposed to microwave radiation at 2.45 GHz for 5 min in an electromagnetic exposure chamber. Transient surface temperatures were recorded in situ using infrared thermograph. Compacts prepared from the as-received powders exhibited significantly higher steady-state temperatures than those made from annealed powders. The transition from an amorphous to a crystalline alumina shell resulted in an approximately 25 % reduction in steady-state temperature during microwave exposure. Microwave energy absorption is inferred from comparative thermal response under identical exposure conditions, rather than from direct measurements of the dielectric loss or absorbed microwave power. These results demonstrate that microwave heating of aluminum particle compacts is strongly influenced by the phase of the alumina shell and that shell crystallinity can be used to tailor material response to microwave energy.

通过改变原生氧化铝钝化壳的相和厚度,可以控制铝颗粒压片中的微波-热能转换。在这项研究中,铝纳米颗粒周围的氧化铝壳通过在400°C的空气中热处理30、60、90和120分钟来改变。透射电子显微镜(TEM)显示,随着退火时间的延长,壳层厚度从平均2.76 nm增加到9.63 nm。x射线衍射(XRD)证实,热处理也诱导了从最初的无定形外壳到越来越结晶的氧化铝的转变。将退火后的粉末制成的压片在电磁暴露室中暴露在2.45 GHz的微波辐射下5分钟。利用红外热像仪原位记录了瞬态表面温度。由接收到的粉末制备的压块表现出明显高于由退火粉末制成的压块的稳态温度。从无定形到结晶氧化铝壳的转变导致微波暴露期间稳态温度降低约25%。微波能量吸收是从相同暴露条件下的比较热响应中推断出来的,而不是从直接测量介电损耗或吸收的微波功率中推断出来的。这些结果表明,微波加热铝颗粒致密体受氧化铝壳相的强烈影响,壳的结晶度可以用来调整材料对微波能量的响应。
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引用次数: 0
Excess Thermodynamic Properties of Binary and Ternary Mixtures of Butan-1-ol, Benzene, and Acetophenone: An Experimental and Modeling Approach 丁烷-1-醇、苯和苯乙酮二元和三元混合物的超热力学性质:实验和建模方法
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-17 DOI: 10.1007/s10765-026-03721-x
Rozafa Krasniqi, Arbër Zeqiraj, Fisnik Aliaj

This work investigates the ternary liquid system butan-1-ol + benzene + acetophenone, together with its corresponding binary mixtures. The system exhibits complex non-ideal behavior arising from pronounced differences in polarity, molecular size, shape, and intermolecular interactions among the components. To gain insight into these effects, thermophysical and thermodynamic properties were determined experimentally and analyzed across the full composition range. Density (ρ) and speed of sound (u) were measured at (293.15, 303.15, 313.15, 323.15, and 333.15) K and ambient pressure for the ternary system for the first time, with the same methodology applied to the binary subsystems. From these measurements, excess molar volumes (({V}_{m}^{E})) and excess isentropic compressibilities (({kappa }_{S}^{E})) were evaluated and correlated using Redlich–Kister polynomial for the binaries and the Cibulka equation for the ternary data. The Jouyban–Acree model accurately reproduced the composition and temperature dependence of the measured and derived properties using a compact set of parameters. The experimentally determined ternary excess properties were further compared with predictions based on symmetric (Kohler, Muggianu) and asymmetric (Hillert, Toop) binary-contribution models. Among these, the Hillert formulation yielded the most reliable agreement with experiment, particularly when acetophenone was treated as the asymmetric component, consistent with its distinct polarity and electronic structure compared to butan-1-ol and benzene. To substantiate the origin and extent of asymmetry, the Chou’s General Solution model was additionally applied. The Chou analysis independently identified acetophenone as the dominant asymmetric contributor, thereby confirming that the Hillert model provides the physically and mathematically most appropriate representation of the ternary system. This outcome reflects the fact that the Hillert model can be interpreted as a limiting case of the Chou formulation, explaining the strong internal consistency between the two approaches.

本文研究了丁烷-1-醇+苯+苯乙酮三元液体体系及其相应的二元混合物。由于极性、分子大小、形状和组分之间的分子间相互作用的显著差异,该体系表现出复杂的非理想行为。为了深入了解这些影响,通过实验确定了热物理和热力学性质,并在整个组成范围内进行了分析。在(293.15,303.15,313.15,323.15和333.15)K和环境压力下,首次测量了三元体系的密度(ρ)和声速(u),并将相同的方法应用于二元子系统。从这些测量结果中,利用二元数据的Redlich-Kister多项式和三元数据的Cibulka方程,对过量摩尔体积(({V}_{m}^{E}))和过量等熵压缩率(({kappa }_{S}^{E}))进行了评估和关联。Jouyban-Acree模型使用一组紧凑的参数精确地再现了测量和导出的属性的组成和温度依赖性。实验确定的三元过剩性质进一步与基于对称(Kohler, Muggianu)和非对称(Hillert, Toop)二元贡献模型的预测进行了比较。其中,Hillert配方与实验的一致性最可靠,特别是当苯乙酮作为不对称组分时,与丁醇和苯相比,它具有独特的极性和电子结构。为了证实不对称的来源和程度,周氏通解模型被另外应用。Chou的分析独立地确定了苯乙酮是主要的不对称贡献者,从而证实了Hillert模型提供了三元体系的物理和数学上最合适的表示。这一结果反映了这样一个事实,即Hillert模型可以被解释为Chou公式的极限情况,解释了两种方法之间强烈的内部一致性。
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引用次数: 0
Effect of Minor Components on the Density of Geothermal Fluids Dominated by NaCl, KCl and CaCl2 Dissolved Salts 微量组分对以NaCl、KCl和CaCl2溶盐为主的地热流体密度的影响
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-17 DOI: 10.1007/s10765-026-03718-6
Ulrike Hoffert, Laurent André, Arnault Lassin, Harald Milsch, Ingo Sass

Geothermal fluids are highly variable in chemical composition and ion concentration. Parametrising density, as one of the most important fluid properties for geothermal reservoir development, is therefore challenging. The purpose of this paper is to test the hypothesis that saline geothermal fluids can well be characterised for density when only the dominating dissolved salts (i.e., NaCl, KCl, and CaCl2) are taken into account, thus neglecting any minor fluid constituents. For the example of four geothermal sites with known chemical fluid composition and significant differences in total salt content (Groß Schönebeck and Insheim, Germany, Balmatt, Belgium, and Heemskerk, The Netherlands) synthetic aqueous solutions of the main salts without and with three different other salts (i.e., LiCl, SrCl2, and MgCl2) representing the minor fluid constituents were parametrised for density at atmospheric pressure and temperatures between 293 K and 353 K. Moreover, density was derived numerically using the PHREESCALE chemical code and evaluated against the analytical data. The results demonstrate that: (1) an effect of the ion type is evident with density increasing in the order of added LiCl, MgCl2, and SrCl2 at a given concentration. (2) The uncertainty in density when neglecting any minor fluid components is at most 2 % which indicates that fluid density can be well characterised when applying the database of the main salts only. (3) The match between analytical and numerical data is excellent with differences generally less than 1 % evidencing that PHREESCALE permits to reliably predict the density of complex and multicomponent geothermal fluids.

地热流体的化学成分和离子浓度变化很大。因此,密度作为地热储层开发中最重要的流体性质之一,其参数化具有挑战性。本文的目的是验证这样一个假设,即当只考虑主要的溶解盐(即NaCl、KCl和CaCl2),从而忽略任何次要的流体成分时,可以很好地表征含盐地热流体的密度。以四个已知化学流体组成和总盐含量显著差异的地热点(德国的Groß Schönebeck和Insheim,比利时的Balmatt和荷兰的Heemskerk)为例,在293 K和353 K之间的大气压和温度下,用三种不同的盐(即LiCl, SrCl2和MgCl2)代替次要流体成分的主要盐的合成溶液的密度参数化。此外,利用PHREESCALE化学代码对密度进行了数值推导,并根据分析数据进行了评估。结果表明:(1)在一定浓度下,离子类型的影响随浓度的增加而增大,浓度顺序为LiCl、MgCl2和SrCl2。(2)忽略任何微量流体成分时,密度的不确定度最多为2%,表明仅应用主盐数据库即可很好地表征流体密度。(3)分析数据与数值数据吻合良好,差异一般小于1%,证明PHREESCALE可以可靠地预测复杂多组分地热流体的密度。
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引用次数: 0
Unified Vapor Pressure Correlations for Lanthanide and Actinide Chlorides: An In-depth Statistical and Thermodynamic Approach 镧系和锕系氯化物的统一蒸气压相关性:一个深入的统计和热力学方法
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-02-17 DOI: 10.1007/s10765-026-03713-x
J. Marvin Torrie, Nicolas Christensen, Kyle Duke, Carlos Mejia, Larry Baxter, Devin Rappleye

Molten salts play a key role in the development of advanced energy technologies, including molten salt reactors (MSRs). However, many of the chemical properties of multi-component salt systems relevant to MSRs, such as vapor pressure, remain insufficiently characterized. As a crucial first step toward studying the vapor pressure of multi-component salt systems, this work provides a critical review of vapor pressure measurements over the solid and liquid phases of pure lanthanide and actinide chlorides. This paper demonstrates appropriate nonlinear data regression methods and identifies areas for future research. Based on this review, and where reliable data are available, new vapor pressure correlations and their parameters were regressed using thoroughly vetted data to provide more reliable vapor pressure predictions for pure lanthanide and actinide chlorides as a function of temperature. Further, the analysis includes robust uncertainty quantification through both a thermodynamic analysis (where data permits) and a robust nonlinear statistical analysis that incorporates confidence bands and joint parameter confidence regions.

熔盐在包括熔盐堆(MSRs)在内的先进能源技术的发展中发挥着关键作用。然而,与msr相关的多组分盐体系的许多化学性质,如蒸汽压,仍然没有得到充分的表征。作为研究多组分盐体系蒸气压的关键的第一步,这项工作对纯镧系和锕系氯化物的固液相蒸气压测量提供了重要的回顾。本文展示了适当的非线性数据回归方法,并确定了未来研究的领域。在此综述的基础上,在可靠数据可用的情况下,使用经过彻底审查的数据对新的蒸汽压相关性及其参数进行回归,以提供更可靠的纯镧系和锕系氯化物蒸汽压作为温度函数的预测。此外,分析还包括通过热力学分析(在数据允许的情况下)和包含置信带和联合参数置信区域的鲁棒非线性统计分析进行的鲁棒不确定性量化。
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International Journal of Thermophysics
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