Journal of Physical and Chemical Reference Data最新文献

{"title":"Laser-Based Primary Thermometry: A Review","authors":"R. Gotti, Marco Lamperti, D. Gatti, M. Marangoni","doi":"10.1063/5.0055297","DOIUrl":"https://doi.org/10.1063/5.0055297","url":null,"abstract":"Laser-based primary thermometry was initiated almost 15 years ago by the proposal to determine the absolute temperature of a gas at thermodynamic equilibrium through the Doppler width of an associated absorption transition, exploiting the potentially very accurate measurement of an optical frequency to infer the elusive thermal energy of a molecular or atomic absorber. This approach, commonly referred to as Doppler broadening thermometry, has benefited across the years from substantial improvements, of both technical and fundamental nature, eventually reaching an accuracy of about 10 ppm on the temperature determination in the best cases. This is sufficient for Doppler broadening thermometry to play a significant role in the practical realization of the new kelvin, which follows the 2019’s redefinition from a fixed value of the Boltzmann constant, and to tackle the challenge, among others, to quantify and possibly fix systematic uncertainties of the international temperature scale of 1990. This paper reviews and comparatively analyzes methods and results achieved so far in the field of laser-based primary thermometry, also including spectroscopic approaches that leverage the temperature-dependent distribution of line intensities and related absorbances across the rovibrational band of a molecular sample. Although at an early stage of development, these approaches show a promising degree of robustness with respect to the choice of the line-shape model adopted for the fitting of the absorption spectra, which is a delicate aspect for all laser-based thermometers. We conclude by identifying possible technical and scientific evolution axes of the current scenario.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":" ","pages":""},"PeriodicalIF":4.3,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47886180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recommended Correlations for the Surface Tension of 80 Esters","authors":"Á. Mulero, I. Cachadiña, A. Vegas","doi":"10.1063/5.0061617","DOIUrl":"https://doi.org/10.1063/5.0061617","url":null,"abstract":"Surface tension values for 80 esters have been compiled from databases, books, and papers in the literature. The data have been carefully screened and selected, and the final dataset for each fluid has been fitted as a function of the temperature by using the Guggenheim–Katayama model, which requires two or four adjustable coefficients for each fluid. As a result, recommended correlations are proposed for each of the 80 esters, providing mean absolute deviations below 0.55 mN/m, mean absolute percentage deviations below 2.2%, and percentage deviations below 10% except for 3 data out of 1846 selected. These correlations are added to the collection of those previously proposed for different kinds of fluids, including common fluids, alcohols, refrigerants, organic acids, and n-alkanes.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":" ","pages":""},"PeriodicalIF":4.3,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47901254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CODATA Recommended Values of the Fundamental Physical Constants: 2018.","authors":"Eite Tiesinga, Peter J Mohr, David B Newell, Barry N Taylor","doi":"10.1063/5.0064853","DOIUrl":"10.1063/5.0064853","url":null,"abstract":"<p><p>We report the 2018 self-consistent values of constants and conversion factors of physics and chemistry recommended by the Committee on Data of the International Science Council. The recommended values can also be found at physics.nist.gov/constants. The values are based on a least-squares adjustment that takes into account all theoretical and experimental data available through 31 December 2018. A discussion of the major improvements as well as inconsistencies within the data is given. The former include a decrease in the uncertainty of the dimensionless fine-structure constant and a nearly two orders of magnitude improvement of particle masses expressed in units of kg due to the transition to the revised International System of Units (SI) with an exact value for the Planck constant. Further, because the elementary charge, Boltzmann constant, and Avogadro constant also have exact values in the revised SI, many other constants are either exact or have significantly reduced uncertainties. Inconsistencies remain for the gravitational constant and the muon magnetic-moment anomaly. The proton charge radius puzzle has been partially resolved by improved measurements of hydrogen energy levels.</p>","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":"50 3","pages":"033105"},"PeriodicalIF":4.4,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9888147/pdf/nihms-1858157.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10226634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Equations of State for the Thermodynamic Properties of Three Hexane Isomers: 3-Methylpentane, 2,2-Dimethylbutane, and 2,3-Dimethylbutane","authors":"E. Lemmon","doi":"10.1063/1.5093644","DOIUrl":"https://doi.org/10.1063/1.5093644","url":null,"abstract":"Equations of state for three hexane isomers, 3-methylpentane, 2,2-dimethylbutane, and 2,3-dimethylbutane, have been developed based on experimental thermodynamic property data from the literature. These equations are explicit in the Helmholtz energy with independent variables of temperature and density. The temperature, pressure, and density validity ranges of the equations of state were determined by the available measured data for these three fluids. The uncertainties in densities, vapor pressures, saturated liquid and vapor densities, and caloric properties were estimated by comparisons with experimental data of these properties. The behavior of various thermodynamic properties was analyzed to assess the quality of the equations of state. Physically correct behavior within the region of validity and at extremely high temperatures and pressures, and temperatures far below the triple-point temperature, was obtained through fitting multiple constraints of various properties.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":"50 1","pages":"033103"},"PeriodicalIF":4.3,"publicationDate":"2021-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/1.5093644","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43118617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New International Formulation for the Viscosity of Heavy Water","authors":"Marc J. Assael, S. A. Monogenidou, M. Huber, R. Perkins, J. Sengers","doi":"10.1063/5.0048711","DOIUrl":"https://doi.org/10.1063/5.0048711","url":null,"abstract":"The International Association for the Properties of Water and Steam has recently adopted a new formulation for the thermodynamic properties of heavy water. This manuscript describes the development of a new formulation for the viscosity of heavy water that is consistent with the new equation of state and is valid for fluid states up to 775 K and 960 MPa with uncertainties ranging from 1% to 5% depending on the state point. Comparisons with experimental data and with a previous viscosity formulation are presented. The new formulation contains terms for the enhancement of viscosity in a small region near the critical point that were not included in previous formulations. The new formulation is applicable over a wider range of conditions than previous correlations.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":"50 1","pages":"033102-033102"},"PeriodicalIF":4.3,"publicationDate":"2021-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/5.0048711","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44293400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"JPCRD: 50 Years of Providing the Scientific Community with Critically Evaluated Thermodynamic Data, Predictive Methods, and Large Thermodynamic Data Compilations","authors":"William E. AcreeJr., J. Chickos","doi":"10.1063/5.0057525","DOIUrl":"https://doi.org/10.1063/5.0057525","url":null,"abstract":"A brief overview is provided on articles published in the Journal of Physical and Chemical Reference Data containing experimental thermodynamic data as well as group contribution methods used to predict thermodynamic quantities of organic compounds. Published papers have contained large compilations of experimental and calculated condensed-phase and gas-phase standard molar enthalpies of formation, isobaric molar heat capacities, molar enthalpies of fusion, molar enthalpies of sublimation, and molar enthalpies of vaporization.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":"50 1","pages":"033101"},"PeriodicalIF":4.3,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/5.0057525","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47231748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Network-Based Design of Near-Infrared Lamb-Dip Experiments and the Determination of Pure Rotational Energies of H218O at kHz Accuracy","authors":"M. Diouf, Roland Tóbiás, Irén Simkó, F. Cozijn, E. Salumbides, W. Ubachs, A. Császár","doi":"10.1063/5.0052744","DOIUrl":"https://doi.org/10.1063/5.0052744","url":null,"abstract":"Taking advantage of the extreme absolute accuracy, sensitivity, and resolution of noise-immune-cavity-enhanced optical-heterodyne-molecular spectroscopy (NICE-OHMS), a variant of frequency-comb-assisted Lamb-dip saturation-spectroscopy techniques, the rotational quantum-level structure of both nuclear-spin isomers of H218O is established with an average accuracy of 2.5 kHz. Altogether, 195 carefully selected rovibrational transitions are probed. The ultrahigh sensitivity of NICE-OHMS permits the observation of lines with room-temperature absorption intensities as low as 10−27 cm molecule−1, while the superb resolution enables the detection of a doublet with a separation of only 286(17) kHz. While the NICE-OHMS experiments are performed in the near-infrared window of 7000–7350 cm−1, the lines observed allow the determination of all the pure rotational energies of H218O corresponding to J values up to 8, where J is the total rotational quantum number. Both network and quantum theory have been employed to facilitate the measurement campaign and the full exploitation of the lines resolved. For example, to minimize the experimental effort, the transitions targeted for observation were selected via the spectroscopic-network-assisted precision spectroscopy (SNAPS) scheme built upon the extended Ritz principle, the theory of spectroscopic networks, and an underlying dataset of quantum chemical origin. To ensure the overall connection of the ultraprecise rovibrational lines for both nuclear-spin isomers of H218O, the NICE-OHMS transitions are augmented with six accurate microwave lines taken from the literature. To produce absolute ortho-H218O energies, the lowest ortho energy is determined to be 23.754 904 61(19) cm−1. A reference, benchmark-quality line list of 1546 transitions, deduced from the ultrahigh-accuracy energy values determined in this study, provides calibration standards for future high-resolution spectroscopic experiments between 0–1250 and 5900–8380 cm−1.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":"50 1","pages":"023106"},"PeriodicalIF":4.3,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/5.0052744","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43744928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Speed-of-Sound Measurements and a Fundamental Equation of State for Propylene Glycol","authors":"T. Eisenbach, Christian W. Scholz, R. Span, Diego E. Cristancho, E. Lemmon, M. Thol","doi":"10.1063/5.0050021","DOIUrl":"https://doi.org/10.1063/5.0050021","url":null,"abstract":"A fundamental equation of state was developed for propylene glycol. It is written in terms of the Helmholtz energy with the independent variables temperature and density. Due to its fundamental nature, it can be used to calculate all thermodynamic state properties from the Helmholtz energy and its derivatives with respect to the independent variables. Special attention was paid not only to accurately reproduce the available experimental data but also to correct extrapolation. Therefore, this equation can be used for application in mixture models. For the development of the present equation of state, the available literature data were supplemented with new experimental speed-of-sound measurements, which were conducted in the temperature range from 293.2 K to 353.2 K with pressures up to 20 MPa. High accuracy was achieved by applying the well-established double-path-length pulse-echo technique and a careful sample preparation.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":" ","pages":""},"PeriodicalIF":4.3,"publicationDate":"2021-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/5.0050021","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46774631","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recommended Correlations for the Surface Tension of n-Alkanes","authors":"Á. Mulero, I. Cachadiña, D. Bautista","doi":"10.1063/5.0048675","DOIUrl":"https://doi.org/10.1063/5.0048675","url":null,"abstract":"In previous papers, specific correlations were proposed to reproduce the surface tension values selected for several families of fluids and for wide ranges of temperatures. In this paper, the surface tension of n-alkanes is considered. For that, the data available in DIPPR and DETHERM databases and in Wohlfarth and Wohlfarth [“Surface tension of pure liquids and binary liquid mixtures,” in Landolt-Bornstein, New Series Group IV Physical Chemistry Vol. 16, edited by M. D. Lechner (Springer-Verlag, Berlin, 1997)] and its updated supplements (2008 and 2016) have been compiled. In most cases, a significant number of new data have been added, which were published elsewhere during the last few years and that were not included in the previously mentioned sources. All the data and values available for each fluid have been carefully screened and subsequently fitted to the Guggenheim–Katayama model, which includes two to six adjustable coefficients for each fluid. As a result, recommended correlations for 33 n-alkanes are proposed, providing absolute deviations below 1.65 mN/m and mean absolute percentage deviations below 2.1%.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":"50 1","pages":"023104"},"PeriodicalIF":4.3,"publicationDate":"2021-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/5.0048675","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46917832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cross Sections for Electron Collisions with H2O","authors":"Mi-Young Song, Hyuck Cho, G. Karwasz, V. Kokoouline, Yoshiharu Nakamura, J. Tennyson, A. Faure, N. Mason, Y. Itikawa","doi":"10.1063/5.0035315","DOIUrl":"https://doi.org/10.1063/5.0035315","url":null,"abstract":"Electron collision cross section data for the water molecule are compiled from the literature. Cross sections are collected and reviewed for total scattering, elastic scattering, momentum transfer, excitations of rotational and vibrational states, electronic excitation, dissociation, ionization, and dissociative attachment. For each of these processes, the recommended values of the cross sections are presented. The literature has been surveyed up to the end of 2019.","PeriodicalId":16783,"journal":{"name":"Journal of Physical and Chemical Reference Data","volume":"50 1","pages":"023103"},"PeriodicalIF":4.3,"publicationDate":"2021-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/5.0035315","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41772392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}