TITLE

The equation of state of HF under shock compression

AUTHOR(S)
Fried, Laurence E.; Howard, W. Michael
PUB. DATE
April 2000
SOURCE
AIP Conference Proceedings;2000, Vol. 505 Issue 1, p57
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We develop a model of chemical equilibrium mixtures containing the elements H, C, F. We show that the shock response of a wide variety of molecular and polymeric fluorocarbons can be modeled as a chemical equilibrium mixture of a small number of dissociation product molecules. HF is known to strongly associate in the supercritical fluid phase. We predict that such an association also occurs under shock conditions.
ACCESSION #
5985455

 

Related Articles

  • Chemical equilibrium in supercritical fluids: Solvent effects on the dimerization equilibrium constant. Egorov, S. A.; Rabani, Eran // Journal of Chemical Physics;5/15/2002, Vol. 116 Issue 19, p8447 

    We study dimerization equilibrium between two dilute solutes in a supercritical solvent. Nonlocal hypernetted chain integral equation theory is employed to calculate the dimerization equilibrium constant for a wide range of solvent thermodynamic conditions and model potential parameters. The...

  • An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen. Fried, Laurence E.; Howard, W.Michael // Journal of Chemical Physics;11/1/1998, Vol. 109 Issue 17, p7338 

    Examines the exponential-6 potential model in fluid equation of state studies. Background on the exponential-6 potential model; Equation of state based on hypernetted-mean spherical approximation (HMSA) and Monte Carlo calculations; Discussion on numerical simulations and analytical statistical...

  • Development of a new polarizable potential model of hydrogen fluoride and comparison with other effective models in liquid and supercritical states. Pártay, Lívia; Jedlovszky, Pál; Vallauri, Renzo // Journal of Chemical Physics;5/14/2006, Vol. 124 Issue 18, p184504 

    Development of a new polarizable potential of hydrogen fluoride through the reparametrization of the JV-P model is presented: The length of the H–F bond has been shortened and the other parameters of the model have been readjusted accordingly. The structural, thermodynamic, and...

  • Hydrogen fluoride phase behavior and molecular structure: A QM/MM potential model approach. Wierzchowski, Scott J.; Kofke, David A.; Gao, Jiali // Journal of Chemical Physics;10/8/2003, Vol. 119 Issue 14, p7365 

    A molecular-orbital derived polarizable potential function is developed to model liquid and supercritical fluid hydrogen fluoride. The model is based on a novel application of a combined quantum-mechanical and molecular-mechanical (QM/MM) approach, which treats molecular polarization by a...

  • Hydrogen bond cooperativity and electron delocalization in hydrogen fluoride clusters. Rincón, Luis; Almeida, Rafael; García-Aldea, David; Diez y Riega, Helena // Journal of Chemical Physics;4/1/2001, Vol. 114 Issue 13 

    We investigate the energetic, structural, electronic and thermodynamics properties of hydrogen fluoride cluster, (HF)[sub n], in the range n=2-8, by ab initio methods and density functional theory (DFT). The ab initio methods chosen were Hartree-Fock (RHF) and second-order Mo\ller-Plesset...

  • Surfactant formation efficiency of fluorocarbon-hydrocarbon oligomers in supercritical CO2. Can, Hatice; Kacar, Gokhan; Atilgan, Canan // Journal of Chemical Physics;9/28/2009, Vol. 131 Issue 12, p124701 

    We use dissipative particle dynamics simulations to explore the phase behavior and solution properties of ABCBA type model surfactants in near-supercritical CO2 environment. We present design guidelines for functional surfactants with tunable properties. The block co-oligomers used in this study...

  • Prediction of Solubility of Solid Biomolecules in Supercritical Solvents Using Group Contribution Methods and Equations of State. Ajchariyapagorn, Araya; Douglas, Peter L.; Douglas, Supaporn; Pongamphai, Suwassa; Teppaitoon, Wittaya // American Journal of Food Technology;2008, Vol. 3 Issue 5, p275 

    The purpose of this study is to present a method to estimate the solubility of solid solutes m supercritical fluids when only the molecule structure is known. The solubility of solid solutes in a supercritical fluid is an important thermo-physical property that needs to be default one is to...

  • Modeling of the Solubility of Solid High-Molecular-Weight Organic Substances in Supercritical Fluids. Derevich, I. V.; Gromadskaya, R. S. // Theoretical Foundations of Chemical Engineering;Mar/Apr2003, Vol. 37 Issue 2, p144 

    A method is proposed to calculate the solubility of solid high-molecular-weight substances in organic supercritical fluids on the basis of the Soave and Peng-Robinson equations of state. The mixing rules are modified taking into account the Gibbs energy of mixing calculated for a particular...

  • Monomer Fraction in Real Gases. Sedunov, Boris // International Journal of Thermodynamics;Mar2008, Vol. 11 Issue 1, p1 

    This work is aimed to attract attention to monomer fraction density (MFD), the variable that has not yet taken its place in the theory of real gases. The work shows that this variable can be calculated for monocomponent real gases from experimental isothermal dependences of their density on...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics