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NIST ThermoPlan - Experimental Planning and Coverage Evaluation Aid for Thermophysical Property Measurements - SRD 167
This web application provides free and open access for the broader research community to the experimental planning utilities that are incorporated into ThermoData Engine (TDE) [J. Chem. Inf. Model. 2005, 45, 816-838]. TDE provides recommendations for the relative merit of a proposed measurement via assessment of the existing body of knowledge, including availability of experimental thermophysical property data, variable ranges studied, associated uncertainties, state of prediction methods, and parameters for deployment of prediction methods. The web applications provides utilities for the assessment of specific property measurements for pure and binary chemical systems, the broader data needs of pure systems, and recommendations for binary mixture measurements that could extend the current UNIFAC model. The primary focus of this recommendation service is molecular organic compounds. Some common inorganic and organometallic compounds are included, but, in general, polymers, radicals, ions, salt and acid solutions, metals, metal oxides, and inter-metallics are not considered. References NIST Standard Reference Data 103a and 103b.
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NIST ThermoPlan - Experimental Planning and Coverage Evaluation Aid for Thermophysical Property Measurements - SRD 167
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This web application provides free and open access for the broader research community to the experimental planning utilities that are incorporated into ThermoData Engine (TDE) [J. Chem. Inf. Model. 2005, 45, 816-838]. TDE provides recommendations for the relative merit of a proposed measurement via assessment of the existing body of knowledge, including availability of experimental thermophysical property data, variable ranges studied, associated uncertainties, state of prediction methods, and parameters for deployment of prediction methods. The web applications provides utilities for the assessment of specific property measurements for pure and binary chemical systems, the broader data needs of pure systems, and recommendations for binary mixture measurements that could extend the current UNIFAC model. The primary focus of this recommendation service is molecular organic compounds. Some common inorganic and organometallic compounds are included, but, in general, polymers, radicals, ions, salt and acid solutions, metals, metal oxides, and inter-metallics are not considered. References NIST Standard Reference Data 103a and 103b.
ThermoLit: NIST Literature Report Builder for Thermophysical and Thermochemical Property Measurements
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This web application provides free and open access to literature information contained in the NIST SOURCE Data Archive, and provides an easy-to-use tool for generation of a NIST Literature Report in PDF format, as required by the Journals. The tool is intended to aid researchers and reviewers in determining relevant literature sources for a given experimental measurement; however, it is not intended to replace the comprehensive literature review required by all journals, and no guarantee is made regarding completeness of the information provided. For an analysis of the comparative impact a particular measurement may have, the ThermoPlan: Experimental Planning and Coverage Evaluation Aid for Thermophysical Property Measurements web tool (http://trc.nist.gov/thermoplan/) is recommended.
ThermoData Engine free public version
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A computer program for accessing and visualization of thermodynamic and transport property data for chemical compounds and mixtures available at the TRC/NIST ThermoML archive https://data.nist.gov/od/id/mds2-2422. The data collection contains 2.2 million distinct property values (the whole archive can also be downloaded from that link, stored, and accessed from a local storage). The program has been compiled for Windows OS and tested under Windows 10. The operation procedures are described in the embedded Help.
NIST ThermoData Engine - Pure Compounds, Binary Mixtures and Reactions - SRD 103b
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The ThermoData Engine fully implements all major principles of the concept of dynamic data evaluation formulated at NIST?s Thermodynamics Research Center (TRC). Dynamic data evaluation relies on large electronic databases to store the currently known experimental data along with detailed descriptions of relevant metadata and uncertainties. Combining this data with expert software allows the ThermoData Engine to producing data compilations 'to order' which include all major thermophysical properties (such as density, vapor pressure, heat capacity, enthalpies of phase transitions, critical properties, melting and boiling points, etc). As the name of this resource implies, its scope is pure compounds, binary mixtures and reactions. If you are only interested in pure compounds please see NIST ThermoData Engine - Pure Compounds - SRD 103a (https://www.nist.gov/srd/nist-standard-reference-database-103a).
NIST Web Thermo Tables (WTT) - Professional Edition - SRD 203
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The Web Thermo Tables (WTT) are a collection of critically evaluated thermodynamic property data for pure compounds with a primary focus on organics. These data were generated through dynamic data analysis, as implemented in the NIST ThermoData Engine software package. Also included are some critically evaluated data from the historical TRC Thermodynamic Tables archive. The Professional Edition contains information on over 28,000 compounds. For a subset of the data focused on commonly-used pure compounds please see the Lite Edition (http://www.nist.gov/srd/nistwebsub2.cfm) .
Traceable RF Power Metering Procedures With Thermoelectric Sensors.
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The National Institute of Standards and Technology (NIST) maintains the United States' primary standards for traceable RF and mm-wave power measurements. In the 2.4 mm connector type, the specialized sensors that NIST currently uses as primary standards are not commercially available, which raises concerns about the long-term sustainability of NIST's measurement capabilities. These concerns motivated us to explore the option of using commercially available thermoelectric power sensors. In this paper, we describe a power metering procedure and a preliminary uncertainty analysis for a power sensor that could be used for traceable RF power measurements. With our metering procedure we see good metered power linearity up to about 17 mW of RF power, weak temperature dependence, and an overall fractional measurement uncertainty of about 0.10\% (k = 1).
Training and Test-Related Data for Keyphrase Extraction for Technical Language Processing
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Training and test-related data to accompany "Keyphrase Extraction for Technical Language Processing" by Alden Dima and Aaron Massey (in press). The subdirectories "keyphrase-extraction-jct-train" and "keyphrase-extraction-jct-test" contain a total of 1153 ThermoML files which are each associated with a corresponding Journal of Chemical Thermodynamics (JCT) article. These ThermoML files contain information about these papers in extensible markup language (XML) format including the title, authors, abstract, digital object identifier (DOI) and keywords. They also contain thermophysical property data unrelated to the keyphrase extraction study. These files were obtained from the National Institute of Standard and Technology (NIST) Thermodynamics Research Center (TRC) in Boulder, Colorado (https://trc.nist.gov/). Readers wishing to replicate this work will also need to obtain the original JCT articles which can be obtained from https://www.sciencedirect.com/journal/the-journal-of-chemical-thermodynamics.
NIST Standard Reference Simulation Website - SRD 173
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The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of systems and from various simulation techniques. The data include raw canonical potential energy, macrostate probability distributions, metadata explaining the simulation parameters and constraints, and thermophysical properties generated by processing the raw simulation output, including pressure, phase coexistence properties, self-diffusivity, and excess entropy. Thermodynamic properties and reference energy calculations are given on the website in tabular form. Data are generated from well-proven molecular simulation software with repeated simulation runs to prove repeatability and provide error estimates so that the data can serve as Standard Reference Data (http://www.nist.gov/srd/upload/SRDAct-2.pdf).