Investigation of association reactions in polar gases using the pressure and temperature dependence of thermal conductivity

Conference · Thu Apr 01 04:00:00 EST 1982 · J. Phys. Chem.; (United States)

OSTI ID:6497968

Curtiss, L A; Frurip, D J; Blander, M

The results of investigations into the association reactions occurring in polar gases by analysis of the pressure and temperature dependence of thermal conductivity are reviewed. The gases studied include water, methanol, ethanol, 2-propanol, 2-methyl-2-propanol, 2,2,2-trifluoroethanol, acetone, acetonitrile, pyridine, acetic acid, trifluoroacetic acid, as well as the binary mixtures methanol-water, trifluoroethanol-water, and acetic acid-water. The pressure and temperature ranges of these studies are 100 to 2000 torr and 330 to 440 K, respectively. Expressions for the thermal conductivity of reacting gases derived by Butler and Brokaw, based on the work of Hirschfelder, give calculated thermal conductivities which fit the observed data very well for all the types of observed pressure dependence. The fits yield information on the associated species present (e.g. dimer, trimer, tetramer, etc.), on the concentrations of the species, and on their enthalpies and entropies of association. The thermodynamic results, in conjunction with ab initio molecular orbital calculations, provide information on the strength and structure of hydrogen bonding occurring in the cluster species.

• Research Organization: Argonne National Lab., IL
• OSTI ID: 6497968
• Report Number(s): CONF-8106216-
• Conference Information: Journal Name: J. Phys. Chem.; (United States) Journal Volume: 86:7
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ACETIC ACID
ACETONE
ACETONITRILE
ALCOHOLS
AZINES
BINDING ENERGY
CARBOXYLIC ACIDS
CHEMICAL REACTIONS
DATA
DIMERS
ENERGY
ETHANOL
EXPERIMENTAL DATA
FLUIDS
GASES
HEAVY WATER
HETEROCYCLIC COMPOUNDS
HYDROGEN COMPOUNDS
HYDROXY COMPOUNDS
INFORMATION
KETONES
METHANOL
MONOCARBOXYLIC ACIDS
NITRILES
NUMERICAL DATA
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
POLYMERS
PRESSURE DEPENDENCE
PYRIDINES
TEMPERATURE DEPENDENCE
THERMAL CONDUCTIVITY
THERMODYNAMIC PROPERTIES
WATER