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2 edition of Thermochemical and chemical kinetic data for fluorinated hydrocarbons found in the catalog.

Thermochemical and chemical kinetic data for fluorinated hydrocarbons

Thermochemical and chemical kinetic data for fluorinated hydrocarbons

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Published by U.S. Dept. of Commerce, Technology Administration, National Institute of Standards and Technology, For sale by the Supt. of Docs., U.S. G.P.O. in Gaithersburg, MD, Washington, DC .
Written in English

    Subjects:
  • Fluorohydrocarbons -- Thermal properties.,
  • Fire extinguishing agents -- Thermomechanical properties.

  • Edition Notes

    StatementD.R.F. Burgess, Jr. ... [et al.].
    SeriesNIST technical note -- 1412.
    ContributionsBurgess, D. R. F., National Institute of Standards and Technology (U.S.)
    The Physical Object
    FormatMicroform
    Paginationvii, 174 p.
    Number of Pages174
    ID Numbers
    Open LibraryOL17684067M

    Hydrocarbons, Aliphatic Unsaturated: What are reactive groups? Reactive groups are categories of chemicals that typically react in similar ways because they are similar in their chemical structure. Each substance with a chemical datasheet has been assigned to one or more reactive groups, and CAMEO Chemicals uses the reactive group assignments. Unsaturated aliphatic hydrocarbons are characterized by straight or branched carbon chains containing at least one double or triple bond between the carbon atoms. They are also known as alkenes or olefins (for compounds containing a C-C double bond) and alkynes (for compounds containing a C-C triple bond).


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Thermochemical and chemical kinetic data for fluorinated hydrocarbons Download PDF EPUB FB2

A comprehensive, detailed chemical kinetic mechanism was developed and is presented for C 1 and C 2 fluorinated hydrocarbon destruction and flame suppression. Existing fluorinated hydrocarbon thermochemistry and kinetics were compiled from the literature and by: Get this from a library.

Thermochemical and chemical kinetic data for fluorinated hydrocarbons. [D R F Burgess; National Institute of Standards and Technology (U.S.);]. First, he construes the term "fluorocarbon" to mean a fully fluorinated hydrocarbon (e.g., [2][6]), placing partially fluorinated hydrocarbons outside the scope of the patent claims.

Curbing the Federal Circuit's enthusiasm: an argument for a rebuttable presumption against application of the doctrine of equivalents to disclosed but. Potential energy surfaces and reaction kinetics were calculated for 40 reactions involving sulfur and oxygen.

This includes 11 H[subscript 2]O addition, 8 H[subscript 2]S addition, 11 hydrogen abstraction, 7 beta scission, and 3 elementary tautomerization reactions, which are potentially relevant in the combustion and desulfurization of sulfur compounds found in various fuel by: The thermodynamic and thermochemical properties of molecules, radicals, and atoms are involved one way or another in almost every computational aspect of combustion : Alexander Burcat.

Fluorinated hydrocarbon synonyms, Fluorinated hydrocarbon pronunciation, Fluorinated hydrocarbon translation, English dictionary definition of Fluorinated hydrocarbon.

An inert liquid or gaseous halocarbon compound in which fluorine replaces some or all hydrogen atoms, used as aerosol propellants, refrigerants. Chemical kinetic modeling of high temperature hydrocarbon oxidation in combustion is reviewed.

First, reaction mechanisms for specific fuels are discussed, with emphasis on the hierarchical structure of reaction mechanisms for complex by: Fluorocarbons, sometimes referred to as perfluorocarbons or PFCs, are, strictly speaking, organofluorine compounds with the formula C x F y, i.e.

they contain only carbon and fluorine, though the terminology is not strictly followed. Compounds with the prefix perfluoro-are hydrocarbons, including those with heteroatoms, wherein all C-H bonds have been replaced by C-F bonds.

Burgess DR Jr, Zachariah MR, Tsang W, Westmoreland PR () Thermochemical and chemical kinetic data for fluorinated hydrocarbons. Prog Energy Combust Sci – Reliable heats of formation are reported for numerous fluorinated and chlorinated methane and ethane derivatives by means of an accurate thermochemical protocol, which involves explicitly correlated coupled-cluster calculations augmented with anharmonic, scalar relativistic, and diagonal Born–Oppenheimer corrections.

The theoretical results, along with additional experimental data, are Cited by: 3. Burgess DR Jr, Zachariah MR et al () Thermochemical and chemical kinetic data for fluorinated hydrocarbons.

Prog Energy Combust Sci 21(6)– CrossRef Google Scholar Cited by: A detailed chemical kinetic mechanism has been developed to describe the oxidation of small hydrocarbon and oxygenated hydrocarbon species.

In order to understand the oxidation of large hydrocarbon and oxygenated hydrocarbon fuels it is necessary to first generate a detailed understanding of the pyrolysis and oxidation kinetics of simple fuels such as hydrogen and carbon monoxide as well.

CHEMICAL, PHYSICAL, AND THERMOCHEMICAL PROPERTIES OF HYDROCARBONS We learned from Lecture 1 that there are three important thermochemical properties for combustion analysis. These are specific heat (or sensible enthalpy), enthalpy of formation, and entropy. In this lecture, we will learn the methods with which these properties may be estimated.

ROLES OF INHIBITORS IN GLOBAL GAS-PHASE COMBUSTION KINETICS Yuko Saso National Research Institute of Fire and Disaster with the thermochemical data unchanged. The calculated Chemical Kinetic Data for Fluorinated Hydrocarbons,” Prog. Energy Combust. Sci. Theoretical calculations of thermochemical data have become very useful for certain classes of compounds, such as organic molecules and small inorganic molecules with atoms from the first and second rows of the periodic table In addition, recent work has suggested that the reactions of fluorinated hydrocarbons with oxygen, for example, can.

Get Textbooks on Google Play. Rent and save from the world's largest eBookstore. Read, highlight, and take notes, across web, tablet, and phone. Chemical Kinetic Models for Combustion of Hydrocarbons kinetic combustion and nitric oxide formation model that is consistent with experimental results and recent kinetic data.

The experiments were performed in a jet-stirred combustor and the fuels studied were methane, propane, and the Cited by: 6. Burgess DR Jr, Zachariah MR, Tsang W, Westmoreland PR () Thermochemical and chemical kinetic data for fluorinated hydrocarbons.

Prog Energy Combust Sci Cited by: A wide variety of non-food biomass grown across the country can be converted into advanced hydrocarbon fuels using thermochemical processes.

Photos (clockwise from upper left): iStock/, Scott Butner/PNNL, iStock/, Calvin Feik/NREL/ Thermochemical Conversion: Using Heat and Catalysis to Make Biofuels and BioproductsFile Size: 4MB. Experimental thermochemical properties of benzene, toluene, and 63 polycyclic aro-matic hydrocarbons, published within the period – over references, are reported.

Available experimental data for the enthalpies of combustion used to calculate enthalpies of formation in the condensed state, combined with sublimation, vaporization. Chemical kinetics and thermochemical data for combustion applications (UCID) [Charles K Westbrook] on *FREE* shipping on qualifying : Charles K Westbrook.

"Advances in Organic Synthesis" is a book series devoted to publishing the latest and the most important advances in organic synthesis. Contributions are written by eminent scientists and each volume is devoted to major advances in organic synthesis. Each volume, being which is topic specific, is edited by an authority in the field.

Thermochemical analysis and kinetics aspects for a chemical model for camphene ozonolysis. Seropédica, RJBrazil. In this work, a chemical model for the camphene ozonolysis, leading to carbonyl final products, is proposed and discussed on the basis of the thermochemical properties and kinetic data obtained at density functional Cited by:   New Group-Contribution Approach to Thermochemical Properties of Organic Compounds: Hydrocarbons and Oxygen-Containing Compounds.

Published. Aug were established. Experimental data for enthalpies of formation in liquid phase, enthalpies of vaporization, and enthalpies of formation in the gas phase for alkanes, alkenes, alkynes Cited by: InNERC funded a 2-yr knowledge transfer project between the Universities of Cambridge and Leeds with the British Atmospheric Data Centre (BADC) and the UK Met Office, to improve the integration and collaboration between the IUPAC Task Group and the Master Chemical rationale of this project was to facilitate the creation of a common interactive tool for the atmospheric.

An organochloride, organochlorine compound, chlorocarbon, or chlorinated hydrocarbon is an organic compound containing at least one covalently bonded atom of chlorine that has an effect on the chemical behavior of the chloroalkane class (alkanes with one or more hydrogens substituted by chlorine) provides common examples.

The wide structural variety and divergent chemical. The chemical processes involved in the decomposition of energetic materials have been investigated theoretically using quantum chemical methods to determine the thermochemistry and reaction pathways. The Bond-Additivity-Corrected Moller-Plesset 4th order perturbation theory method (BAC-MP4) has been used to determine heats of formation and free Author: C.F.

Melius. A zip file containing all of the PDF format datasheets for this category is available: Please do not redistribute these datasheets or zipfile. Please do not redistribute these datasheets or zipfile.

Thermochemical Cycles for the Production of H 2 (from Hydrocarbons) Stuart Scott (and John Dennis) Engineering Department University of Cambridge • Relatively complex chemical and physical processes. • SMR and WGS catalysts may be upset by impurities in the fuel. Hydrocarbon means that the compound is made of--you guessed it--hydrogen and carbon atoms bonded together through the sharing of electrons.

Carbon-based compounds are often referred to as organic compounds. They are either gases, volatile liquids. The chemistry of the non-benzenoid hydrocarbons and their simple derivatives, (New York, The Chemical catalog company, inc., ), by Benjamin T.

Brooks (page images at HathiTrust) Some properties of the lighter hydrocarbons, hydrogen sulfide, and carbon dioxide, monograph on API Research Proj (New York, American Petroleum Institute.

Thermochemical kinetic parameters are developed for each elementary reaction process. Chemical activation kinetic analysis with multifrequency QRRK theory for k(E) and master equation for falloff are used to estimate overall rate constants as functions of temperature and pressure.

A Halomethane Thermochemical Network from iPEPICO Experiments and Quantum Chemical CalculationsCited by: Links with this icon indicate that you are leaving the CDC website. The Centers for Disease Control and Prevention (CDC) cannot attest to the accuracy of a non-federal website.

Linking to a non-federal website does not constitute an endorsement by CDC or any of its employees of the sponsors or the information and products presented on the website.

NIST produces the Nation’s Standard Reference Data (SRD). These data are assessed by experts and are trustworthy such that people can use the data with confidence and base significant decisions on the data. NIST provides 49 free SRD databases and 41 fee-based SRD databases.

SRD must be compliant with rigorous critical evaluation criteria. Book Chapter: Quantum kassel analysis of the reactions of CH + N2, CH+ NO, 1CH2 + N2, 3CH2 + N2.

None Bozzelli J, Dean AM: Bozzelli J, Dean AM. Quantum kassel analysis of the reactions of CH + N2, CH+ NO, 1CH2 + N2, 3CH2 + N2. In: Fundamental Process in Combustion. Elsevier, R (Final) not available: Book Chapter. Carl Yaws, a leading authority on chemical compounds in the chemical engineering field, has done it again.

In Transport Properties of Chemicals and Hydrocarbons -- an essential volume for any chemist or chemical engineer’s library -- he has amassed over 7, Format: Hardcover. Inorganic Compounds: Physical and Thermochemical Data. H f ø: Standard molar enthalpy change of formation at K.

Chosen standard pressure is 1 atm. G f. International Journal of Chemical Kinetics ; 29(3) R (Final) Abstract: Wiley-Abstract Exit; Journal Article: Chen C-J, Bozzelli JW. Kinetic analysis for HO2 addition to ethylene, propene, and isobutene, and thermochemical parameters of alkyl hydroperoxides and hydroperoxide alkyl radicals.

To make practical the molecular dynamics simulation of large scale reactive chemical systems (s of atoms), we developed ReaxFF, a force field for reactive systems. ReaxFF uses a general relationship between bond distance and bond order on one hand and between bond order and bond energy on the other hand that leads to proper dissociation of bonds to separated by:.

In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents.

When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, they burn exothermically to produce carbon dioxide and water.Alkanes.

Alkanes, or saturated hydrocarbons, contain only single covalent bonds between carbon of the carbon atoms in an alkane has sp 3 hybrid orbitals and is bonded to four other atoms, each of which is either carbon or hydrogen. The Lewis structures and models of methane, ethane, and pentane are illustrated chains are usually drawn as straight lines in Lewis structures.Chemical explosions are due to reactions between chemical species.

Chemical explosions are more violent at or near the stoichiometric levels. A methane/oxygen is stoichiometric when the molar ratios are 1CH4 + 2O2 Æ 1CO2 +2H2O.

For every one molecule of methane the reaction requires two molecules of oxygen to be in a stoichiometric Size: KB.