Journal of Physical and Chemical Reference Data最新文献

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Thermodynamic Properties of the Glycine + H2O System 甘氨酸+ H2O体系的热力学性质

IF 4.3 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-06-01 DOI: 10.1063/1.5016677

D. Rowland

New equations describing the thermodynamic properties of the glycine + H2O system are obtained from previously published measurements. The measured values span a range of temperatures of approximately 273 to 473 K for glycine(aq) and (5 to 310) K for α-glycine(cr). This work provides critically assessed values for the following properties: (1) thermal properties of α-glycine(cr) from 0 to 310 K, (2) the change in excess Gibbs energy for glycine(aq) solutions as a function of temperature, pressure, and molality, valid from 273 to 473 K, pressures up to 40 MPa, and the molality range of 0 to 3.6 mol kg−1 (or the saturation limit), and (3) standard-state properties for the aqueous solution process.New equations describing the thermodynamic properties of the glycine + H2O system are obtained from previously published measurements. The measured values span a range of temperatures of approximately 273 to 473 K for glycine(aq) and (5 to 310) K for α-glycine(cr). This work provides critically assessed values for the following properties: (1) thermal properties of α-glycine(cr) from 0 to 310 K, (2) the change in excess Gibbs energy for glycine(aq) solutions as a function of temperature, pressure, and molality, valid from 273 to 473 K, pressures up to 40 MPa, and the molality range of 0 to 3.6 mol kg−1 (or the saturation limit), and (3) standard-state properties for the aqueous solution process.

描述甘氨酸+ H2O体系热力学性质的新方程是从先前发表的测量中得到的。测量值的温度范围为甘氨酸(aq)约273至473 K， α-甘氨酸(cr)约5至310 K。这项工作提供了以下性质的严格评估值:(1)α-甘氨酸(cr)在0至310 K范围内的热性质，(2)甘氨酸(aq)溶液的过量吉布斯能变化作为温度，压力和质量摩尔浓度的函数，有效范围为273至473 K，压力高达40 MPa，质量摩尔浓度范围为0至3.6 mol kg−1(或饱和极限)，以及(3)水溶液过程的标准状态性质。描述甘氨酸+ H2O体系热力学性质的新方程是从先前发表的测量中得到的。测量值的温度范围为甘氨酸(aq)约273至473 K， α-甘氨酸(cr)约5至310 K。这项工作提供了以下性质的严格评估值:(1)α-甘氨酸(cr)在0至310 K范围内的热性质，(2)甘氨酸(aq)溶液的过量吉布斯能变化作为温度，压力和质量摩尔浓度的函数，有效范围为273至473 K，压力高达40 MPa，质量摩尔浓度范围为0至3.6 mol kg−1(或饱和极限)，以及(3)水溶液过程的标准状态性质。

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引用次数: 7

Energy Levels of Core-Excited 1s2l2l′ States in Lithium-Like Ions: Argon to Uranium 类锂离子（氩到铀）核激发1s2l2l′态的能级

IF 4.3 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-05-22 DOI: 10.1063/1.5034574

V. Yerokhin, A. Surzhykov

Energy levels and fine-structure intervals of the $1s2l2l'$ core-excited states are calculated for ions along the Li isoelectronic sequence from argon to uranium. The calculation is performed by the relativistic configuration-interaction method adapted for treatment of autoionizing core-excited states. The calculational approach includes the relativistic treatment of the nuclear recoil effect, the leading QED shifts as delivered by the model QED operator, and the frequency dependence of the Breit interaction. The $1s2l2l'-1s^22l$ transition energies are obtained by combining the present results for the $1s2l2l'$ states with energies of the $1s^22l$ states compiled from previous calculations. All theoretical energies are supplied with uncertainty estimates. Our theoretical predictions for the $1s2l2l'-1s^22l$ transitions are significantly more accurate than the best experimental results available today and can be used for calibrating experimental X-ray spectra.

计算了从氩到铀沿Li等电子序列的离子$1s2l2l'$核心激发态的能级和精细结构间隔。计算采用适用于处理自电离核激发态的相对论组态相互作用方法。计算方法包括核反冲效应的相对论性处理，由模型QED算子传递的领先QED位移，以及Breit相互作用的频率依赖性。$1s2l2l'- $1s^22l$跃迁能是通过将$1s2l2l'$的当前结果与从以前的计算中编译的$1s^22l$态的能量相结合得到的。所有理论能量都提供了不确定性估计。我们对$ 1s22l '- $1s ^22l$跃迁的理论预测比目前可用的最佳实验结果要精确得多，并且可以用于校准实验x射线光谱。

引用次数: 26

New Formulation for the Viscosity of n-Butane 正丁烷粘度的新配方

IF 4.3 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-03-12 DOI: 10.1063/1.5020802

S. Herrmann, E. Vogel

A new viscosity formulation for n-butane, based on the residual quantity concept, uses the reference equation of state by Bucker and Wagner [J. Phys. Chem. Ref. Data 35, 929 (2006)] and is valid in the fluid region from the triple point to 650 K and to 100 MPa. The contributions for the zero-density viscosity and for the initial-density dependence were separately developed, whereas those for the critical enhancement and for the higher-density terms were pretreated. All contributions were given as a function of the reciprocal reduced temperature τ, while the last two contributions were correlated as a function of τ and of the reduced density δ. The different contributions were based on specific primary data sets, whose evaluation and choice were discussed in detail. The final formulation incorporates 13 coefficients derived employing a state-of-the-art linear optimization algorithm. The viscosity at low pressures p ≤ 0.2 MPa is described with an expanded uncertainty of 0.5% (coverage factor k = 2) for temp...

基于残余量的概念，利用Bucker和Wagner的参考状态方程，提出了一种新的正丁烷粘度公式[J]。理论物理。化学。参考资料35,929(2006)]，在三相点至650 K和100 MPa的流体区域有效。对零密度粘度和初始密度依赖性的贡献分别进行了开发，而对临界增强和高密度项的贡献进行了预处理。所有贡献都以还原温度τ的倒数函数给出，而最后两个贡献则以τ和还原密度δ的函数相关。不同的贡献基于特定的原始数据集，并对其评估和选择进行了详细讨论。最终公式包含13个系数，采用最先进的线性优化算法。在p≤0.2 MPa的低压下，粘度的扩展不确定度为0.5%(覆盖系数k = 2)。

引用次数: 12

Reference Data for the Density, Viscosity, and Surface Tension of Liquid Al–Zn, Ag–Sn, Bi–Sn, Cu–Sn, and Sn–Zn Eutectic Alloys 液体Al-Zn、Ag-Sn、Bi-Sn、Cu-Sn和Sn-Zn共晶合金的密度、粘度和表面张力参考数据

IF 4.3 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-02-22 DOI: 10.1063/1.5010151

A. Dobosz, T. Gancarz

The data for the physicochemical properties viscosity, density, and surface tension obtained by different experimental techniques have been analyzed for liquid Al–Zn, Ag–Sn, Bi–Sn, Cu–Sn, and Sn–Zn eutectic alloys. All experimental data sets have been categorized and described by the year of publication, the technique used to obtain the data, the purity of the samples and their compositions, the quoted uncertainty, the number of data in the data set, the form of data, and the temperature range. The proposed standard deviations of liquid eutectic Al–Zn, Ag–Sn, Bi–Sn, Cu–Sn, and Sn–Zn alloys are 0.8%, 0.1%, 0.5%, 0.2%, and 0.1% for the density, 8.7%, 4.1%, 3.6%, 5.1%, and 4.0% for viscosity, and 1.0%, 0.5%, 0.3%, N/A, and 0.4% for surface tension, respectively, at a confidence level of 95%.

用不同的实验方法对液态Al-Zn、Ag-Sn、Bi-Sn、Cu-Sn和Sn-Zn共晶合金的理化性能、粘度、密度和表面张力进行了分析。所有实验数据集都按照发表年份、获取数据的技术、样品纯度及其成分、引用的不确定度、数据集中数据的数量、数据的形式和温度范围进行了分类和描述。液相共晶Al-Zn、Ag-Sn、Bi-Sn、Cu-Sn和Sn-Zn合金的密度标准差分别为0.8%、0.1%、0.5%、0.2%和0.1%，粘度标准差分别为8.7%、4.1%、3.6%、5.1%和4.0%，表面张力标准差分别为1.0%、0.5%、0.3%、N/A和0.4%，置信水平为95%。

引用次数: 22

Temperature Dependence of Mineral Solubility in Water. Part 2. Alkaline and Alkaline Earth Bromides 矿物在水中溶解度的温度依赖性。第2部分。碱土溴

IF 4.3 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-01-25 DOI: 10.1063/1.5010290

B. Krumgalz

Databases of alkaline and alkaline earth bromide solubilities in water at various temperatures were created using experimental data from publications over about the last two centuries. Statistical critical evaluation of the created databases was produced since there were enough independent data sources to justify such evaluation. The reliable experimental data were adequately described by polynomial expressions over various temperature ranges. Using the Pitzer approach for ionic activity and osmotic coefficients, the thermodynamic solubility products for the discussed bromide minerals have been calculated at various temperature intervals and also represented by polynomial expressions.

使用过去两个世纪出版的实验数据创建了不同温度下碱土溴在水中的溶解度数据库。由于有足够的独立数据来源证明这种评价是合理的，因此对所创建的数据库进行了统计批判性评价。在不同的温度范围内，用多项式表达式充分描述了可靠的实验数据。使用离子活性和渗透系数的Pitzer方法，计算了所讨论的溴化物矿物在不同温度区间的热力学溶解度产物，并用多项式表达式表示。

引用次数: 34

Editorial: Review Articles Welcome in JPCRD 编辑:欢迎发表评论文章

IF 4.3 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-01-02 DOI: 10.1063/1.5019258

A. Harvey, Donald R. BurgessJr.

Beginning in 2018, the Journal of Physical and Chemical Reference Data (JPCRD) will publish a limited number of Review Articles in a separate section. Some of these reviews will be solicited, but unsolicited submissions of Review Articles will also be considered for publication. Since most JPCRD articles already have review-like qualities (comprehensive evaluation of available data on a topic), some explanation is needed of what we envision. We expect that JPCRD Review Articles will fall into one of the following categories:

从2018年开始，物理与化学参考数据杂志(JPCRD)将在一个单独的部分发表有限数量的评论文章。其中一些评论将被征求，但主动提交的评论文章也将被考虑发表。由于大多数JPCRD文章已经具有类似评审的性质(对一个主题的可用数据进行综合评估)，因此需要对我们的设想进行一些解释。我们期望JPCRD评审文章属下列类别之一:

引用次数: 2

Reference Correlation for the Thermal Conductivity of n-Hexadecane from the Triple Point to 700 K and up to 50 MPa. 正十六烷从三相点到 700 K 及最高 50 MPa 的导热系数参考相关性。

IF 4.4 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-01-01 DOI: 10.1063/1.5021459

S A Monogenidou, M J Assael, M L Huber

This paper presents a new wide-ranging correlation for the thermal conductivity of n-hexadecane based on critically evaluated experimental data. The correlation is designed to be used with a recently published equation of state, and it is valid from the triple point up to 700 K and pressures up to 50 MPa. We estimate the uncertainty at a 95% confidence level to be 4% over the aforementioned range, with the exception of the dilute-gas range where the uncertainty is 2.7% over the temperature range 583 to 654 K. The correlation behaves in a physically reasonable manner when extrapolated to the full range of the equation of state, but the uncertainties are larger outside of the validated range, and also in the critical region.

本文根据经过严格评估的实验数据，对正十六烷的热导率提出了一种新的广泛相关性。该相关性设计用于最近公布的状态方程，其有效值从三相点到 700 K，压力最高可达 50 MPa。我们估计，在 95% 的置信度下，上述范围内的不确定性为 4%，但稀释气体范围除外，在 583 至 654 K 的温度范围内，不确定性为 2.7%。当推断到状态方程的整个范围时，相关性的表现在物理上是合理的，但在验证范围之外以及临界区域的不确定性较大。

引用次数: 0

Reference Correlation for the Viscosity of Ammonia from the Triple Point to 725 K and up to 50 MPa. 从三相点到725k和高达50mpa的氨粘度的参考相关性。

IF 4.3 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-01-01 DOI: 10.1063/1.5036724

S A Monogenidou, M J Assael, M L Huber

This paper presents a new wide-ranging correlation for the viscosity of ammonia based on critically evaluated experimental data. The correlation is designed to be used with a recently developed equation of state, and it is valid from the triple point to 725 K, at pressures up to 50 MPa. The estimated uncertainty varies depending on the temperature and pressure, from 0.6% to 5%. The correlation behaves in a physically reasonable manner when extrapolated to 100 MPa, however care should be taken when using the correlations outside of the validated range.

本文提出了一个新的广泛的相关性，为氨的粘度基于严格评估的实验数据。该相关性设计用于最近开发的状态方程，并且在压力高达50 MPa的情况下，从三相点到725 K都有效。估计的不确定性随温度和压力的变化而变化，从0.6%到5%不等。当外推到100mpa时，相关性以物理上合理的方式表现，但是在验证范围之外使用相关性时应小心。

引用次数: 21

Reference Correlations for the Thermal Conductivity of 13 Inorganic Molten Salts. 13 种无机熔盐导热系数的参考相关性。

IF 4.4 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-01-01 DOI: 10.1063/1.5052343

Ch D Chliatzou, M J Assael, K D Antoniadis, M L Huber, W A Wakeham

The available experimental data for the thermal conductivity of 13 inorganic molten salts have been critically examined with the intention of establishing thermal conductivity reference correlations. All experimental data have been categorized into primary and secondary data according to the quality of measurement specified by a series of criteria. Standard reference correlations are proposed for the following molten salts (with estimated uncertainties at the 95 % confidence level given in parentheses): LiNO₃ (7 %), NaNO₃ (7 %), KNO₃ (15 %), NaBr (15 %), KBr (15 %), RbBr (15 %), LiCl (17 %), NaCl (20 %), KCl (17 %), RbCl (17%), CsCl (10 %), NaI (17 %), and RbI (20 %).

我们对 13 种无机熔盐热导率的现有实验数据进行了严格审查，旨在建立热导率参考相关性。根据一系列标准规定的测量质量，将所有实验数据分为一级数据和二级数据。针对以下熔盐提出了标准参考相关性（括号内为 95% 置信度下的估计不确定性）：LiNO3 (7 %)、NaNO3 (7%)、KNO3 (15%)、NaBr (15%)、KBr (15%)、RbBr (15%)、LiCl (17%)、NaCl (20%)、KCl (17%)、RbCl (17%)、CsCl (10%)、NaI (17%) 和 RbI (20%)。

引用次数: 0

Reference Values and Reference Correlations for the Thermal Conductivity and Viscosity of Fluids. 流体导热系数和粘度的参考值和参考相关性。

IF 4.4 2区工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physical and Chemical Reference Data

Pub Date : 2018-01-01 DOI: 10.1063/1.5036625

M J Assael, A E Kalyva, S A Monogenidou, M L Huber, R A Perkins, D G Friend, E F May

In this paper, reference values and reference correlations for the thermal conductivity and viscosity of pure fluids are reviewed. Reference values and correlations for the thermal conductivity and the viscosity of pure fluids provide thoroughly evaluated data or functional forms and serve to help calibrate instruments, validate or extend models, and underpin some commercial transactions or designs, among other purposes. The criteria employed for the selection of thermal conductivity and viscosity reference values are also discussed; such values, which have the lowest uncertainties currently achievable, are typically adopted and promulgated by international bodies. Similar criteria are employed in the selection of reference correlations, which cover a wide range of conditions, and are often characterized by low uncertainties in their ranges of definition.

本文综述了纯流体导热系数和粘度的参考值和参考相关性。纯流体热导率和粘度的参考值和相关性提供了经过全面评估的数据或函数形式，有助于校准仪器、验证或扩展模型，以及支持某些商业交易或设计等。此外，还讨论了导热系数和粘度参考值的选择标准；这些值具有目前可实现的最低不确定性，通常由国际机构采用和颁布。在选择参考相关值时也采用了类似的标准，参考相关值涵盖的条件范围很广，其定义范围的不确定性通常也很低。

引用次数: 0

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