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Volumetric, Acoustic and Optical Properties for Binary Mixtures of Acetonitrile + Aromatic Hydrocarbons: Experimental and Modeling Study 乙腈+芳烃二元混合物的体积、声学和光学性质:实验和模型研究
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-12 DOI: 10.1007/s10765-025-03703-5
Dana Drăgoescu, Ariel Hernández, Alexander Shchamialiou

The experimental data of densities, ρ, speeds of sound, u, and refractive indices, nD, are reported for pure compounds and their two binary mixtures of acetonitrile + aromatic hydrocarbons, namely: acetonitrile + n-propylbenzene and acetonitrile + iso-propyllbenzene, at five temperatures, in the range of T = (298.15 to 318.15) K with ΔT = 5 K, on the entire composition range and under atmospheric pressure, p = 0.1 MPa. The values obtained from experimental measurements have been correlated by the Jouyban-Acree model with good accuracy. Based on the experimental data, the excess and deviation quantities, as: excess molar volumes, (V_{m}^{E}), partial/ apparent molar volumes, deviation in speeds of sound, Δu, excess isentropic compressibilities, ({kappa_{S}^{E} }), excess molar isentropic compressibilities, (K_{S,m}^{E}), refractive index deviations, ΔnD, and excess molar refractions, ({R_{m}^{E} }), respectively, have been calculated. For each of the studied mixtures, all these excess properties have been correlated with the Redlich–Kister polynomial equation and the coefficients of correlations were reported. In addition, in this paper, the Perturbed Chain Statistical Associating Fluid Theory Equation of State (PC-SAFT EoS) was used for modeling the density as predictive approach. On the other hand, PC-SAFT + two models were used for calculate the speed of sound of binary mixtures, and PC-SAFT + four mixing rules were used for compute the refractive index of binary mixtures.

本文报道了在T = (298.15 ~ 318.15) K范围内(ΔT = 5 K)和常压p = 0.1 MPa下,纯化合物及其两种乙腈+芳烃二元混合物(乙腈+正丙苯和乙腈+异丙苯)的密度、ρ、声速、u和折射率nD的实验数据。用Jouyban-Acree模型对实验测量值进行了相关性分析,得到了较好的精度。根据实验数据,分别计算了超摩尔体积(V_{m}^{E})、偏/视摩尔体积、声速偏差Δu、超等熵可压缩性({kappa_{S}^{E} })、超摩尔等熵可压缩性(K_{S,m}^{E})、折射率偏差ΔnD和超摩尔折射率({R_{m}^{E} })。对于所研究的每种混合物,所有这些多余性质都与Redlich-Kister多项式方程相关,并报告了相关系数。此外,本文采用摄动链统计关联流体理论状态方程(PC-SAFT EoS)对密度进行建模作为预测方法。另一方面,使用PC-SAFT +两个模型计算二元混合物的声速,使用PC-SAFT +四个混合规则计算二元混合物的折射率。
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引用次数: 0
Physics-Informed Neural Network Prediction of Thermophysical Properties for Propyl Butyrate + 1-Alkanol (C6–C10) 基于物理的神经网络预测丁酸丙酯+ 1-烷醇(C6-C10)的热物理性质
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-12 DOI: 10.1007/s10765-025-03702-6
Adel Noubigh, Mohammad Almasi, Nasim Rahmani-Ivriq

This investigation examined the density and viscosity of five binary mixtures of propyl butyrate with 1-alkanols (C5–C10). The properties were measured across the complete composition range at temperatures from 293.15 to 323.15 K. Experimental analysis showed positive excess molar volumes, and the magnitude of these values increased with both temperature and the chain length of the 1-alkanol. These results are consistent with volume expansion upon mixing for the systems studied. A Physics-Informed Neural Network (PINN) was also developed to predict the excess molar volumes. This model, which incorporates thermodynamic constraints, was applied to the mixtures. For the datasets in this study, the model yielded an Average Absolute Deviation (AAD) of 0.0053 cm3/mol and a mean relative error of 3.23 %. Furthermore, R2 values for the model’s predictions exceeded 0.99 for all tested systems. This indicates a strong correlation between the predicted and experimental data under these specific conditions, particularly for the longer-chain alkanols and at higher temperatures.

本研究考察了五种丁酸丙酯与1-烷醇(C5-C10)二元混合物的密度和粘度。在293.15至323.15 K的温度范围内测量了整个成分的性质。实验分析表明,过量摩尔体积为正,且其大小随温度和1-烷醇链长的增加而增加。这些结果与所研究的体系在混合时的体积膨胀一致。一个物理信息神经网络(PINN)也被开发来预测多余的摩尔体积。该模型结合了热力学约束,应用于混合物。对于本研究的数据集,该模型的平均绝对偏差(AAD)为0.0053 cm3/mol,平均相对误差为3.23%。此外,模型预测的R2值在所有测试系统中都超过0.99。这表明,在这些特定条件下,特别是长链烷烃和高温下,预测数据和实验数据之间存在很强的相关性。
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引用次数: 0
Modeling and Application of Dynamic Thermal Performance of Spectrally Selective Composite Ice and Pure Ice Structures 光谱选择性复合冰与纯冰结构动态热性能的建模与应用
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.1007/s10765-025-03698-z
Yuanyuan Zhang, Jing Liu, Xu Han, Hua Zhang, Yun Xia, Yue Wu

The high-temperature sensitivity of the mechanical properties of composite ice and pure ice materials makes thermal risk prediction and careful thermal management essential for ensuring the stability and durability of composite ice shell buildings. Based on previous studies on the radiation spectra of composite ice and pure ice, this study established two dynamic solar radiation and heat transfer models for composite ice and pure ice structures. Compared with temperature data from previous field tests, the average root mean square errors for the composite ice structure model and pure ice structure model were 0.86 °C and 0.91 °C, with mean absolute errors of 0.74 °C and 0.79 °C, respectively. In addition, the degree of influence of four meteorological parameters on the surface temperature of both ice structures was investigated, covering indoor and outdoor air temperatures, outdoor wind speed, and solar irradiance. The application of the two models was further extended through response surface methodology experiments to investigate the variations in the surface temperature and thermal risk of ice structures under the simultaneous effects of meteorological parameters with significant impacts, the addition ratio of reinforcing materials, and the structural thickness. Multivariate regression prediction models for the surface temperatures of ice structures were subsequently established. The results provide a method for simulating the dynamic solar radiation and heat transfer in spectrally selective ice structures in real time, as well as directly predicting the thermal risk, thus providing important references for the future operation and maintenance of composite ice shell buildings.

复合冰和纯冰材料力学性能的高温敏感性使得热风险预测和精心的热管理对于保证复合冰壳建筑的稳定性和耐久性至关重要。在前人对复合冰和纯冰辐射光谱研究的基础上,本文建立了复合冰和纯冰结构的动态太阳辐射和传热模型。与以往现场试验温度数据相比,复合冰结构模型和纯冰结构模型的平均均方根误差分别为0.86°C和0.91°C,平均绝对误差分别为0.74°C和0.79°C。此外,还研究了室内外空气温度、室外风速和太阳辐照度等4个气象参数对两种冰结构表面温度的影响程度。通过响应面法实验进一步扩展了两种模型的应用,研究了在具有显著影响的气象参数、增强材料添加比和结构厚度同时作用下冰结构表面温度和热风险的变化。建立了冰结构表面温度的多元回归预测模型。研究结果为实时模拟光谱选择性冰结构的动态太阳辐射和传热,以及直接预测热风险提供了一种方法,为复合冰壳建筑未来的运行维护提供了重要参考。
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引用次数: 0
Fick Diffusivity, Thermal Diffusivity, Thermal Conductivity, Density, and Mixture Composition of Binary Mixtures of γ-Butyrolactone and 1,4-Butanediol by Light Scattering Techniques and Conventional Methods 用光散射技术和常规方法研究γ-丁内酯和1,4-丁二醇二元混合物的菲克扩散系数、热扩散系数、导热系数、密度和混合物组成
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.1007/s10765-025-03694-3
Dena Mombeini, Hubert P. Blabus, Michael H. Rausch, Tobias Klein, Thomas M. Koller, Chathura J. Kankanamge, Michael Geißelbrecht, Peter Wasserscheid, Andreas P. Fröba

γ-Butyrolactone (GBL) and 1,4-butanediol (BDO) represent a promising liquid organic hydrogen carrier (LOHC) system, for which a lack of thermophysical property data at process-relevant conditions exists. For this LOHC system, the Fick diffusivity D11, thermal diffusivity a, thermal conductivity λ, and density ρ were investigated at about 0.1 MPa as a function of temperature T and mixture composition at GBL amount fractions xGBL = (0.00, 0.25, 0.50, 0.75, and 1.00) using light scattering and conventional techniques. Vibrating U-tube densimetry and a guarded parallel-plate instrument were employed to determine ρ between T = (283 and 473) K and λ between T = (283 and 363) K. Dynamic light scattering allowed simultaneous access to a and D11 between T = (298 and 473) K in macroscopic thermodynamic equilibrium, while polarization-difference Raman spectroscopy was applied after calibration to monitor the composition. The onset of a certain decomposition or structural rearrangement was observed above about T = 398 K, depending on the sample composition and experimental boundary conditions. When such effects are small, the data for ρ, a, and D11 increase with increasing xGBL at a given T, whereas λ has the opposite trend. With the help of the results for ρ, a, and λ, values for the specific isobaric heat capacity cp could be derived. The present measurement results agree with the few experimental data for ρ and λ available in the literature for the pure mixture components and contribute to a significant extension of the thermophysical property database for this highly promising LOHC system.

γ-丁内酯(GBL)和1,4-丁二醇(BDO)是一种很有前途的液态有机载氢(LOHC)体系,但在工艺相关条件下缺乏热物性数据。利用光散射和常规技术,研究了该LOHC体系在约0.1 MPa下,在GBL量分数xGBL =(0.00, 0.25, 0.50, 0.75和1.00)下,Fick扩散系数D11、热扩散系数a、导热系数λ和密度ρ随温度T和混合物成分的变化规律。采用振动u型管密度仪和保护平行板仪测定了T = (283 ~ 473) K之间的ρ和T = (283 ~ 363) K之间的λ,动态光散射可同时获得宏观热力学平衡T = (298 ~ 473) K之间的a和D11,校正后应用偏振差分拉曼光谱监测组分。根据样品组成和实验边界条件的不同,在T = 398 K以上观察到某种分解或结构重排的开始。当这种效应很小时,在给定的T下,ρ、a和D11的数据随着xGBL的增加而增加,而λ则有相反的趋势。利用ρ、a和λ的结果,可以推导出比等压热容cp的值。目前的测量结果与文献中关于纯混合组分的ρ和λ的少量实验数据一致,并有助于显著扩展这个极有前途的LOHC系统的热物理性质数据库。
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引用次数: 0
Transition Pathways of Electrified Buildings Toward Carbon Neutrality: Comparative Assessment with Gas–Based ZEBs and the Role of PV Integration 电气化建筑向碳中和的过渡路径:与基于气体的zeb的比较评估和光伏集成的作用
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-01-05 DOI: 10.1007/s10765-025-03701-7
Bo Rang Park, Min Hee Chung, Jin Woo Moon

This study evaluates the energy performance, operational carbon emissions, and energy autonomy of electrified residential buildings compared to a conventional gas-based Zero-Energy Building (ZEB) under Korea’s ZEB certification framework. A detached single-family house was modeled with three configurations: a gas-based ZEB, a Packaged-Terminal Heat Pump (PTHP) ZEB, and an Air-to-Water Heat Pump (AWHP) ZEB. A 3-kW rooftop photovoltaic (PV) system was applied to all cases, representing a typical residential-scale installation for energy self-sufficiency. The results show that full electrification increases primary energy consumption—from 148.3 to 201.6 kWh/m2·yr—under the current source energy conversion factor (2.75 for electricity), making it difficult for electrified ZEBs to satisfy the present 90 kWh/m2·yr threshold. Although the electricity emission factor (EF) of the Korean grid is projected to decline significantly from 0.4781 to 0.0480 kgCO₂eq/MWh by 2050, this reduction reflects grid decarbonization, not changes in building performance. When building operational emissions are recalculated using the future EF values, electrified ZEBs show substantially lower annual emissions than the gas-based case, highlighting the long-term benefits of electrification under a decarbonized power system. PV-based energy autonomy analysis reveals that the load cover ratio (LCR) and self-consumption ratio (SC) remain within 38–67%, while the self-sufficiency ratio (SS) exceeds the 20% threshold required for ZEB certification. Nevertheless, the high loss of power supply probability (63–78%) underscores the necessity of storage or load-shifting strategies. Overall, electrification represents a viable transition pathway toward carbon–neutral ZEBs, contingent upon continued grid decarbonization and expanded renewable integration.

本研究评估了在韩国ZEB认证框架下,与传统的以天然气为基础的零能耗建筑(ZEB)相比,电气化住宅建筑的能源性能、运营碳排放和能源自主性。一个独立的单户住宅采用三种配置进行建模:基于气体的ZEB,包装终端热泵(PTHP) ZEB和空气-水热泵(AWHP) ZEB。一个3千瓦的屋顶光伏(PV)系统应用于所有案例,代表了典型的住宅规模的能源自给自足装置。结果表明,在当前源能量转换系数为2.75的情况下,全面电气化增加了一次能源消耗,从148.3 kWh/m2·年增加到201.6 kWh/m2·年,使得电气化的zeb难以满足目前90 kWh/m2·年的阈值。虽然预计到2050年,韩国电网的电力排放系数(EF)将从0.4781大幅下降到0.0480 kgCO₂eq/MWh,但这是电网脱碳的结果,而不是建筑性能的变化。当使用未来EF值重新计算建筑运行排放时,电气化的zeb的年排放量大大低于基于天然气的情况,突出了在脱碳电力系统下电气化的长期效益。基于pv的能源自主性分析显示,负荷覆盖率(LCR)和自用率(SC)保持在38-67%之间,自用率(SS)超过了ZEB认证要求的20%的门槛。然而,电力供应的高损失概率(63-78%)强调了存储或负载转移策略的必要性。总体而言,电气化代表了向碳中和zeb过渡的可行途径,这取决于持续的电网脱碳和扩大的可再生能源整合。
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引用次数: 0
Meteorological Remote Sensing Technologies for Passive Radiative Cooling Informatics: A Comprehensive Review 被动辐射冷却信息的气象遥感技术综述
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-29 DOI: 10.1007/s10765-025-03699-y
Ross Y. M. Wong, Ilario Bisignano, Satoshi Ishii

Passive radiative cooling performance is influenced by material properties and meteorological conditions. A more transparent atmospheric window reduces downwelling longwave radiation, thereby increasing cooling power and reducing surface temperature. Atmospheric emissions can be quantified using sky emissivity or sky temperature, both of which can be parameterized by ambient temperature, humidity, and cloudiness. This study first reviews the historical development of clear-sky and cloudy-sky temperature models, highlighting the challenges in establishing a universal sky temperature model. It then examines state-of-the-art meteorological remote sensing technologies and assesses their roles in monitoring and acquiring radiative cooling data. As radiative cooling materials and systems hold strong potential for building energy conservation and their effectiveness is highly weather-dependent, this study investigates how radiative cooling informatics enhances quantitative building energy simulations, assessments, and management.

被动辐射制冷性能受材料性能和气象条件的影响。更透明的大气窗口减少了下坠的长波辐射,从而增加了冷却功率并降低了表面温度。大气排放可以通过天空发射率或天空温度来量化,这两者都可以通过环境温度、湿度和云量来参数化。本文首先回顾了晴空和云天温度模型的历史发展,强调了建立一个通用的天空温度模型所面临的挑战。然后审查最先进的气象遥感技术,并评估它们在监测和获取辐射冷却数据方面的作用。由于辐射冷却材料和系统在建筑节能方面具有强大的潜力,并且它们的有效性高度依赖于天气,本研究探讨了辐射冷却信息学如何增强定量建筑能源模拟、评估和管理。
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引用次数: 0
Role of Excess Free Carriers in the Plasma–Elastic Photoacoustic Response of Semiconductors 过量自由载流子在半导体等离子体弹性光声响应中的作用
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-23 DOI: 10.1007/s10765-025-03695-2
D. K. Markushev, S. M. Kovacevic, J. Ordonez-Miranda, D. D. Markushev

We numerically and experimentally investigate the impact of photogenerated minority excess carriers on the plasma–elastic and total photoacoustic response of semiconductors. The frequency domain behavior of photoacoustic signals is examined as a function of the surface conditions, optical absorbance, and material thickness. For a visible-light excitation, distinct peak-like features in the plasma–elastic amplitude emerge at high modulation frequencies and for thin enough samples. These trends are attributed to carrier density asymmetries between the illuminated and non-illuminated surfaces. These findings highlight the key role of carrier dynamics in shaping plasma–elastic coupling to optimize and interpret photoacoustic measurements in semiconductor characterization.

我们通过数值和实验研究了光产生的少数多余载流子对半导体的等离子体弹性和总光声响应的影响。光声信号的频域行为作为表面条件,光吸收和材料厚度的函数进行了检查。对于可见光激发,在高调制频率和足够薄的样品中,等离子体弹性振幅出现明显的峰状特征。这些趋势归因于载流子密度不对称之间的照明和非照明表面。这些发现强调了载流子动力学在形成等离子体弹性耦合以优化和解释半导体表征中的光声测量中的关键作用。
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引用次数: 0
Thermophysical Properties of Molten Salts: Insights from the TCSALT Database 熔盐的热物理性质:来自TCSALT数据库的见解
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-23 DOI: 10.1007/s10765-025-03697-0
Rui Zhang, Lina Kjellqvist, Huahai Mao, Andreas Markström, Reza Naraghi, Qing Chen

Molten salts play a crucial role in numerous industrial applications, including nuclear reactors, thermal energy storage, and high-temperature electrochemical processes. Their thermophysical properties, such as viscosity, surface tension, and molar volume, are essential for optimizing performance and ensuring operational safety, as they govern heat transfer, fluid flow, and interfacial behavior in high-temperature environments. The TCSALT Molten Salts Database (Version 2.0) provides critically assessed thermodynamic and thermophysical data for fluoride- and chloride-based salts with oxide additions: AlCl3–AlF3–Al2O3–CaCl2–CaF2–CaO–KCl–KF–K2O–LiCl–LiF–Li2O–MgCl2–MgF2–MgO–NaCl–NaF–Na2O–SiCl4–SiF4–SiO2–SrCl2–SrF2–SrO–ZnCl2–ZnF2–ZnO. The database employs the Ionic Two-Sublattice Liquid Model to describe the molten salt solutions, enabling accurate predictions of multicomponent phase diagrams together with both thermodynamic and thermophysical properties. Using this database, viscosity and surface tension can be directly predicted from the underlying ionic structure description of the melt, offering quantitative insights into species distribution, connectivity, and structural evolution across a wide range of temperatures and compositions. The database also includes molar volume descriptions for both liquid and solid phases, further enhancing its applicability in high-temperature material processing and engineering applications. The integration of these thermophysical properties within a unified computational thermodynamic framework provides a powerful tool for material design and process optimization.

熔盐在许多工业应用中起着至关重要的作用,包括核反应堆、热能储存和高温电化学过程。它们的热物理性质,如粘度、表面张力和摩尔体积,对于优化性能和确保操作安全至关重要,因为它们控制着高温环境下的传热、流体流动和界面行为。TCSALT熔盐数据库(2.0版)提供了具有氧化物添加的氟和氯化物盐的严格评估的热力学和热物理数据:alcl3 - alf3 - cacl2 - caf2 - cao - kcl - kf - k20 - licl - lifl - li20 - mgcl2 - mgf2 - mgo - nacl - na2o - sicl4 - sif4 - sio2 - srcl2 - srf2 - sro - zncl2 - znf2 - zno。该数据库采用离子双亚晶格液体模型来描述熔盐溶液,能够准确预测多组分相图以及热力学和热物理性质。使用该数据库,粘度和表面张力可以从熔体的潜在离子结构描述中直接预测,提供了在广泛的温度和成分范围内的物种分布、连通性和结构演变的定量见解。该数据库还包括液相和固相的摩尔体积描述,进一步增强了其在高温材料加工和工程应用中的适用性。将这些热物理性质整合到统一的计算热力学框架中,为材料设计和工艺优化提供了强大的工具。
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引用次数: 0
Density, Heat Capacity, and Vapor Pressure of Squalane 角鲨烷的密度、热容量和蒸气压
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-23 DOI: 10.1007/s10765-025-03684-5
Aleš Blahut, Olga Prokopová, Václav Vinš, Vojtěch Štejfa, Lukas Soba, Monika Thol, Roland Span

New experimental data for squalane, including liquid densities, liquid heat capacities, and saturated vapor pressures, are presented together with their respective uncertainties. Liquid densities were determined from 293.15 K to 453.15 K at pressures up to 20 MPa using an accurate single-sinker magnetic suspension densimeter. Auxiliary measurements were performed with a vibrating tube densimeter from 273.15 K to 363.15 K at ambient pressure, including the correction for sample viscosity. Heat capacities were measured using two differential scanning calorimeters, covering a temperature range from 260 K to 518.6 K. Vapor pressures in the range from 0.21 Pa to 49 Pa were acquired by the static method, spanning a temperature interval from 388 K to 462 K. Correlations for density and heat capacity of liquid squalane developed within this work are discussed and compared to the literature data. A correlation for saturated vapor pressure in the form of the Wagner equation, covering a wide temperature range, was obtained by simultaneously correlating vapor pressures and the relevant caloric data. The choice of exponents used in the Wagner equation is discussed.

本文介绍了角鲨烷的新实验数据,包括液体密度、液体热容和饱和蒸汽压,以及它们各自的不确定度。液体密度在293.15 K到453.15 K之间,压力高达20 MPa,使用精确的单沉式磁悬浮密度计进行测定。在环境压力下,用振动管密度计在273.15 K至363.15 K范围内进行辅助测量,包括对样品粘度的校正。热容测量使用两个差示扫描量热计,覆盖温度范围从260 K到518.6 K。静态法测得的蒸汽压范围为0.21 ~ 49 Pa,温度区间为388 ~ 462 K。本文讨论了液体角鲨烷密度和热容的相关性,并与文献数据进行了比较。通过同时将蒸汽压与相关热量数据相关联,得到了覆盖较宽温度范围的饱和蒸汽压的瓦格纳方程形式的相关性。讨论了瓦格纳方程中指数的选择。
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引用次数: 0
A New Theoretically-Derived Simplified Equation of State with Applications to Refrigerants 一种新的理论推导的简化状态方程及其在制冷剂中的应用
IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-12-18 DOI: 10.1007/s10765-025-03668-5
Amirhossein Oudi, Mohsen Mohsennia

Given the high cost and time demands associated with experimental thermodynamic measurements, the development of reliable, theory-based equations of state (EOSs) is crucial for the accurate prediction of refrigerant behavior in practical thermal systems. Such predictive capabilities are essential for optimizing the design, efficiency, and energy performance of refrigeration and heat pump technologies. In this study, a novel two-parameter cubic EOS was developed within a simplified statistical mechanical perturbation theory framework. The temperature-dependent parameters of the proposed model were optimized using saturated property data for 35 refrigerants, covering a wide range of industrially relevant compounds including chlorofluorocarbons, hydrochlorofluorocarbons, hydrofluorocarbons, hydrocarbons, and natural inorganic refrigerants. Comparative evaluations were conducted for vapor–liquid equilibrium (VLE), saturated and high-pressure liquid densities, normal boiling points, enthalpies of vaporization, pressure–enthalpy (P–H) diagrams, pressure–pressure (P–S) diagrams, isochoric specific heat capacities (Cv), isobaric specific heat capacities (Cp), speed of sound (u), and the coefficient of performance for selected refrigerants, employing the proposed EOS alongside other widely adopted two-parameter models. Furthermore, the new EOS was applied to mixture systems, including isothermal VLE calculations for azeotropic and non-azeotropic binary mixtures, liquid density predictions, thereby demonstrating its versatility and applicability to chemical and process engineering refrigerant systems. The results of the comparative analyses consistently highlight the superior predictive performance of the proposed simple cubic EOS relative to commonly used existing models.

考虑到与实验热力学测量相关的高成本和时间需求,可靠的、基于理论的状态方程(EOSs)的发展对于准确预测实际热系统中制冷剂的行为至关重要。这种预测能力对于优化制冷和热泵技术的设计、效率和能源性能至关重要。在本研究中,在简化的统计力学摄动理论框架内建立了一个新的双参数三次EOS。利用35种制冷剂的饱和特性数据对所提出模型的温度相关参数进行了优化,这些制冷剂涵盖了广泛的工业相关化合物,包括氯氟烃、氢氯氟烃、氢氟碳化物、碳氢化合物和天然无机制冷剂。采用所提出的EOS和其他广泛采用的双参数模型,对所选制冷剂的汽液平衡(VLE)、饱和和高压液体密度、正常沸点、蒸发焓、压力-焓(P-H)图、压力-压力(P-S)图、等时比热容(Cv)、等压比热容(Cp)、声速(u)和性能系数进行了比较评估。此外,新的EOS应用于混合系统,包括共沸和非共沸二元混合物的等温VLE计算,液体密度预测,从而展示了其在化学和工艺工程制冷剂系统中的通用性和适用性。对比分析的结果一致地突出了所提出的简单立方EOS相对于常用的现有模型的优越预测性能。
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International Journal of Thermophysics
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