开氏 473 度以下四乙基、四丙基和四丁基正硅酸盐饱和蒸汽压测量结果

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Chemical & Engineering Data Pub Date : 2024-09-16 DOI:10.1021/acs.jced.4c00325
Hiroaki Matsukawa, Katsuto Otake
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引用次数: 0

摘要

使用基于一般静态法的仪器测量了正硅酸四乙酯(TEOS,(CH3CH2O)4Si)、正硅酸四丙酯(TPOS,(CH3CH2CH2O)4Si)和正硅酸四丁酯(TBOS,(CH3CH2CH2CH2O)4Si)在最高 473 K 温度下的饱和蒸汽压。TEOS、TPOS 和 TBOS 的标准不确定度 (us) 分别为 us (T) = 0.029 K 和 us (p) = 0.015 kPa,最大综合扩展不确定度 U(0.95 置信度)分别为 U(T) = (0.52, 8.60, and 1.64 K) 和 U(psat) = (2.81, 3.09, and 0.82 kPa)。此外,还利用安托万方程对饱和蒸气压进行了相关分析,以确定其参数。使用 PC-SAFT 状态方程(EoS)将测得的饱和蒸气压与之前报告的压力-体积-温度数据进行关联,然后优化 PC-SAFT EoS 的纯组分参数。我们确定了分子结构与组分参数之间的关系,并根据 Sanchez-Lacombe 和 PC-SAFT EoS 确定了所占体积,发现两者之间存在显著差异。我们的研究结果凸显了利用分子结构预测纯组分参数的潜力。除了为这些正硅酸盐提供准确的蒸汽压数据外,这项研究还为相关方法提供了见解,强调了参数确定在状态方程建模中的重要性。
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Saturated Vapor Pressure Measurements for Tetraethyl, Tetrapropyl, and Tetrabutyl Orthosilicates up to 473 K
The saturated vapor pressures of tetraethyl orthosilicate (TEOS, (CH3CH2O)4Si), tetrapropyl orthosilicate (TPOS, (CH3CH2CH2O)4Si), and tetrabutyl orthosilicate (TBOS, (CH3CH2CH2CH2O)4Si) were measured at temperatures up to 473 K using an apparatus based on the general static method. The standard uncertainties (us) were us (T) = 0.029 K and us (p) = 0.015 kPa, and the maximum combined expanded uncertainties U (0.95 level of confidence) were U(T) = (0.52, 8.60, and 1.64 K) and U(psat) = (2.81, 3.09, and 0.82 kPa) for TEOS, TPOS, and TBOS, respectively. Furthermore, the saturated vapor pressure was correlated using the Antoine equation to determine its parameters. The measured saturated vapor pressures were correlated with previously reported pressure–volume-temperature data using the PC-SAFT equation of state (EoS), followed by optimizing the pure component parameters of the PC-SAFT EoS. A relationship between the molecular structure and component parameters was identified, and the occupied volumes were determined according to the Sanchez–Lacombe and PC-SAFT EoS, revealing significant differences. Our findings highlight the potential of using the molecular structure to predict pure component parameters. In addition to providing accurate vapor pressure data for these orthosilicates, this study offers insights into correlation methods, emphasizing the importance of parameter determination in equation of state modeling.
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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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