bookmarks  30

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    XML-based IUPAC Standard for Experimental and Critically Evaluated Thermodynamic Property Data Storage and Capture
    15 years ago by @thorade
     
     
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    The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of experimental data and the evaluation and prediction of property values. It is the only American Chemical Society journal primarily concerned with articles containing experimental data on the physical, thermodynamic, and transport properties of welldefined materials including complex mixtures of known compositions and systems of environmental and biochemical interest. The scope of the Journal now includes thermophysical properties obtained from quantum chemistry, molecular simulation, and molecular mechanics calculations. Acceptable Manuscripts are: Articles, Short Articles, Correlations, and Reviews. These should cover, concisely, substantial work with thoroughness, clarity, and completeness. In addition, Comments, Book Reviews, and Additions and Corrections are published. The decision to both publish a manuscript and the type it will appear as rests solely with the Editor. The Journal of Chemical & Engineering Data ranks in the top 10 in total citations in the category of Chemical Engineering with 9,107 total citations. The journal received an ISI Impact Factor of 2.063.
    15 years ago by @thorade
     
     
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    Mission The Thermophysical Properties Division provides the best available measurements, theory, computations, and data evaluation for the thermophysical property information required to enable development of standards, enhance productivity, facilitate trade, ensure scientific and technological progress, and improve the quality of life. Overview The Thermophysical Properties Division (TPD) was formed at the beginning of 2008 by a reorganization which separated the old Physical and Chemical Properties Division into two entities with distinct focuses and each housed on one of the two main campuses of NIST. The TPD is a Division of the Material Measurement Laboratory located on the Boulder campus. The Thermophysical Properties Division strives to be the foremost and best source of high quality thermophysical property information. This vision is driven by the ubiquitous importance of this information to commerce, industry, manufacturing, and national policy objectives. The Division meets its challenges through an integrated program of experimental measurement, data collection and evaluation, development of theoretically based models, and simulation of model systems. Among the outputs of the Division are computerized standard reference databases which synthesize thermophysical property information in forms which are conveniently used by our stakeholders. The vast majority of commodity exchanges in chemicals, energy related fluids, and materials are based on physical and chemical properties. In some cases, national and international standards for these properties are needed, such as the AGA-8 equation of state for the properties of natural gas, ASME-IAPWS Properties of Water and Steam, ISO-Standard Equations for refrigerants. Generally these standards are presented in the form of high accuracy equations of state which allow determination of a wide range of thermodynamic properties. Additionally, performance criteria of working fluids, feedstock, chemicals, and cryogenic systems are inextricably linked to thermophysical properties, e.g. density, viscosity, boiling point, phase behavior, heat capacity, stability, etc. Engineering design, optimal operation, and innovation for engines, chemical manufacturing, power generation, heating and air conditioning, distillation, etc. depends critically on knowledge of these properties. Reliable properties data are critical to competitive advantage, sustainability, and innovation. Finally, we note that widespread reliance of industry on properties information, success in setting and achieving national energy, environmental, and security goals often requires an extensive and trustworthy properties information-base. To meet the broad spectrum of needs, only briefly sketched above, the Division’s work is structured along four synergistic themes: * Develop and maintain the measurement capabilities, standard materials and reference data needed to underpin a national system of thermophysical property measurements; * Develop large-scale, readily accessible data resources providing trustworthy property information meeting high priority needs for a broad range of industries and national agendas; * Develop empirical and fundamental predictive capabilities to enable reliable estimation of property values when experimental data are unavailable; Research experimental techniques and address key data-gaps in support of specific, high priority industrial and national initiatives. These themes allow effective response to customer needs and are consistent with the Division’s operating strategy to maintain a highly synergistic research program that includes an appropriate balance of measurement, theory, and predictive models. The combination of the Division’s world class expertise and unrivaled resources in measurement, archiving, and provision of high-quality property data is complemented by its forefront research to develop reliable and highly adaptable methods for estimating property data in cases where measurements are unavailable or extremely difficult and/or costly to obtain. Core Expertise The expertise in the Division is broadly distributed within the fields of thermophysical properties and processes, emphasizing (1) data infrastructure and access; (2) predictive theory and models; and (3) experimental tools and measurements. More specifically, the Division maintains competence in data evaluation and dissemination; property models for industrial use; measurement of thermophysical properties; cryogenic technologies; separation technologies; fuel properties; and properties for environmental chemistry. Key Interactions with Customers Division outputs are routinely used in a variety of industrial, governmental, and academic settings. For instance, through a collaboration with Aspen Technology, evaluated data from the NIST Thermodynamic Data Engine are available to some 60,000 chemical plants world-wide. A consortium of chemical and related companies provides direct input to the data collection and evaluation programs of the Thermodynamic Research Center Group. The NIST REFPROP database was purchased by some 1200 customers in 2008, and all cryogenic flow meters in the U.S. are tied to the Division’s calibration and testing services. The Division houses the editorial offices of the International Journal of Thermophysics (and provides an editor of the Journal of Physical and Chemical Reference Data) and organizes the triennial Symposium on Thermophysical Properties to maintain connections. Sponsored research in the Division also provides direct links to key customers: work with DOD (primarily the Air Force) is important to our fuels program; DHS funds some of our work on properties and data for explosives; DARPA works with the Division in its micro-cryocooler project; DOE is engaged in our properties work related to advanced power generation and in gas hydrates data. Future Directions and Plans The National challenges related to energy security and monitoring/mitigating anthropogenic climate (or other environmental) changes are reflected in the Division’s plans. The Division recently held workshops on property needs for biofuels and aerospace fuels: alternative fuels and feedstocks will command an increased emphasis in the future.
    14 years ago by @thorade
     
     
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    The Journal of Non-Equilibrium Thermodynamics serves as an international publication organ for new ideas, insights and results on non-equilibrium phenomena in science, engineering and related natural systems. The central aim of the journal is to provide a bridge between science and engineering and to promote scientific exchange on newly observed non-equilibrium phenomena analytic or fuzzy models for their interpretation new methods to describe non-equilibrium phenomena. The journal addresses mechanical, chemical, and biochemical engineers, physicists, chemists and applied mathematicians, as well as computational scientists. Contributions should present novel approaches to analyzing, modeling and optimizing processes of engineering relevance such as transport processes of mass, momentum and energy, separation of fluid phases, reproduction of living cells, and many others. Highest priority is given to contributions which add to the basic understanding of non-equilibrium phenomena in engineering and related natural systems. The journal publishes scholarly research papers, invited review articles, short communications and “comment-and-reply-notes” on papers already published.
    12 years ago by @thorade
     
     
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    Founded in 1887 Zeitschrift für Physikalische Chemie covers the main developments in physical chemistry with emphasis on experimental research. It represents a combination of reaction kinetics and spectroscopy, surface research and electrochemistry, thermodynamics and structure analysis of matter in its various conditions.
    13 years ago by @thorade
     
     
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    Articles are categorized according to the following topical areas: Fluid Mechanics and Transport Phenomena Particle Technology and Fluidization Separations Process Systems Engineering Reactors Kinetics and Catalysis Materials Interfaces and Electrochemical Phenomena Thermodynamics Bioengineering Food and Natural Products Environmental and Energy Engineering Keywords Fluid mechanics and transport phenomena; particle technology and fluidization; separations; process systems engineering; reactors, kinetics, and catalysis; materials, interfaces, and electrochemical phenomena; thermodynamics; bioengineering, food, and natural products; and energy and environmental engineering, journal, online journal, Wiley Online Library
    12 years ago by @thorade
     
     
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    The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new measurements in experimental thermodynamics and thermophysics including bio-thermodynamics, calorimetry, phase equilibria, equilibrium thermodynamic properties and transport properties. The Journal publishes work relating to gases, liquids, solids, mixtures, solutions, interfaces, including polymers and biological materials, provided that the systems studied are characterised and reproducible. The defining attributes of The Journal are the quality and relevance of the papers published. Authors are expected to describe their methods and present their results in sufficient detail to allow critical assessment of the accuracy claimed. Further, The Journal welcomes theoretical papers reporting on thermodynamics using molecular theory or modeling, provided the relationship with experiment is clearly described. Review articles will also be considered but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Experimental measurements of a routine nature or those conducted on uncharacterised materials are not accepted.
    14 years ago by @thorade
     
     
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    The World's Largest Resource for Physical & Chemical Data in Materials Science: 250,000 Substances & Material Systems | 3,000 Properties | 1,200,000 Literature Citations
    14 years ago by @thorade
     
     
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    Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
    14 years ago by @thorade
     
     
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    Rules from the book by M. Tribus are explored to deduce specified thermodynamic derivatives of the thermodynamical variables (energy , enthalpy , free energy of Helmholtz , free energy of Gibbs , entropy , temperature , pressure , and volume ) as functions of measurable quantities (temperature , pressure , volume , coefficient of thermal expansion , coefficient of compressibility , heat capacity at constant pressure , and heat capacity at constant volume ). Sometimes the entropy will remain outside the derivatives.
    13 years ago by @thorade
     
     
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    The purpose and scope of the International Journal of Thermodynamics is to provide a forum for the publication of original theoretical and applied work in the field of thermodynamics as it relates to systems, states, processes, and both non-equilibrium and equilibrium phenomena at all temporal and spatial scales. The journal, thus, provides a multidisciplinary and international platform for the dissemination to academia and industry of both scientific and engineering contributions, which touch upon a broad class of disciplines that are foundationally linked to thermodynamics and the methods and analyses derived there from. A common thread throughout is that of assessing how both the first and particularly the second laws of thermodynamics touch upon these disciplines.
    10 years ago by @thorade
     
     
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    Infochem Computer Services is the leading independent supplier of thermodynamic software and consultancy services to the oil, gas and chemical industries. Infochem's expertise in physical properties can offer clients cost savings and increased profits through: * Early assessment of potential problems such as solid deposition which may lead to formation damage or pipeline blockage * Choice of the best remediation strategy or most efficient maintenance schedule * Optimisation of production * Avoidance of hazards to personnel or equipment due to fluid properties * High fidelity modelling of processes for design, simulation or operator training * Efficient implementation of thermodynamic software in a range of applications.
    14 years ago by @thorade
     
     
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    The International Journal of Energy Research is dedicated to providing a multidisciplinary platform for the discussion of issues arising in energy research without the constraints imposed by aiming at a restricted audience. It aims to reach all researchers, scientists, engineers, technology developers, planners and policy makers working in the areas of energy management, production, conversion, conservation, systems, technologies and applications, and their impact on the environment and sustainable development. The subject matter of the Journal is concerned with the development and exploitation of both traditional and new energy sources, systems, technologies and applications. Interdisciplinary subjects in the area of novel energy systems and applications are also encouraged. High-quality research papers are solicited in, but are not limited to, the following areas: * Energy conversion, conservation and management * Energy storage * Hydrogen energy and fuel cells * Hydrogen production technologies * Micro- and nano-energy systems and technologies * Exergy analysis * Thermodynamic optimization * Electronics cooling * Nuclear energy * Renewable energy (e.g. geothermal, solar, wind, hydro, tidal wave, biomass) * Energy and sustainable development * Energy and environmental impact * CO2 capturing and storage technologies * Clean coal technologies * Biofuels and alternatives * Life cycle assessment * Hybrid/integrated energy systems * Heat pumps and heat pipes * Advanced power generation and refrigeration systems * Energy system analysis and modelling Submitted manuscripts should report on original works in the area of novel energy systems and applications which may be expected to address current technical, technological, economic, environmental, performance, sustainability problems and bring potential solutions through improvements in efficiency, cost effectiveness, use of resources and sustainability, as well as improved energy security and improvements to the environment. IJER publishes high-quality original papers, review articles and short communications in the area of novel energy systems and applications. Those pertaining to modeling, theory, analysis, simulations, technology development, experiments, visualization and measurement techniques are also appropriate for the journal. IJER will also include letters to the editor, book reviews, an events calendar etc.
    14 years ago by @thorade
     
     
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    Our expertise in thermodynamics and physical properties and rich software suite enable reliable and accurate modelling of real fluids’ phase behaviour for reservoir samples, oil and gas production and processing, flow assurance applications and sizing of equipment and facilities. The combination of KBC’s detailed engineering process simulation and energy management technologies with Infochem’s capability and understanding of reservoir production and complex fluids behaviour provide a powerful set of engineering FLOW ASSURANCE SOFTWARE and wax deposition solutions for asset owners, operators, oilfield service companies, EPC contractors and equipment manufacturers and integrators. Read about the new versions of our software here! We offer two FLOW ASSURANCE SOFTWARE products:
    9 years ago by @thorade
     
     
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    CoolProp is an open-source, free property database that includes pure fluids, pseudo-pure fluids, and humid air properties. It is designed to be trivially simple to use from the Python programming language, and possible to use from other languages as well.
    12 years ago by @thorade
     
     
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    Journal of Physical and Chemical Reference Data is published by the American Institute of Physics (AIP) for the National Institute of Standards and Technology (NIST); content is published online daily, collected into quarterly online and printed issues (4 issues per year). The objective of the Journal is to provide critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation, preferably with uncertainty analysis. Critical reviews of measurement techniques may also be included if they shed light on the accuracy of available data in a technical area. Papers reporting correlations of data or estimation methods are acceptable only if they are based on critical data evaluation and if they produce “reference data”—the best available values for the relevant properties. The journal is not intended as a publication outlet for original experimental measurements such as those normally reported in the primary research literature, nor for review articles of a descriptive or primarily theoretical nature. One source of contributions to the Journal is The National Standard Reference Data System (NSRDS), which was established in 1963 as a means of coordinating on a national scale the production and dissemination of critically evaluated reference data in the physical sciences. Under the Standard Reference Data Act (Public Law 90-396) the National Institute of Standards and Technology of the U.S. Department of Commerce has the primary responsibility in the Federal Government for providing reliable scientific and technical reference data. The Standard Reference Data Program of NIST coordinates a complex of data evaluation centers, located in university, industrial, and other Government laboratories as well as within NIST, which are engaged in the compilation and critical evaluation of numerical data on physical and chemical properties retrieved from the world scientific literature. The participants in this NIST-sponsored program, together with similar groups under private or other Government support which are pursuing the same ends, compose the National Standard Reference Data System. The primary focus of the NSRDS is on well-defined physical and chemical properties of well-characterized materials or systems. An effort is made to assess the accuracy of data reported in the primary research literature and to prepare compilations of critically evaluated data which will serve as reliable and convenient reference sources for the scientific and technical community.
    15 years ago by @thorade
     
     

publications  207