Published 2002 | Version v1
Journal article Metadata-only

Improved simplified scheme of atom equivalents to calculate enthalpies of formation of alkyl radicals

Creators

  • 1. Univ. Nacional de la Plata, Facultad de Ciencias Exactas, Dept. de Quimica, CEQUINOR, La Plata (Argentina)

Description

An improved simplified method of atom equivalents is applied to the calculation of enthalpies of formation of several alkyl radicals. Some statistical mechanics and thermodynamic corrections are added to compare theoretical values with available experimental data. The estimation is quite satisfactory and the average error is similar to current experimental uncertainties, thus providing a direct and simple procedure for this sort of calculation when experimental results are unavailable or/and as an independent check when experimental data are in doubt. (Author)

Availability note (English)

Also available from Biblioteca Luis Demetrio Tinoco, Universidad de Costa Rica

Abstract (Spanish)

Se aplica un metodo simplificado de equivalentes atomicos al calculo de entalpias de formacion de varios radicales alquil. Se agregan algunas correcciones termodinamicas y mecanicas estadisticas para comparar los valores teoricos con la informacion experimental disponible. La estimacion es bastante satisfactoria y el promedio de error es similar a las incertidumbres experimentales actuales; por ende, brinda un procedimiento simple y directo para este tipo de calculo cuando los resultados experimentales no estan disponibles y/o una verificacion independiente de datos experimentales estan en duda. (Author)

Additional details

Publishing Information

Journal Title
Ingenieria y Ciencia Quimica
Journal Volume
20
Journal Issue
1
Journal Page Range
p. 2-5
ISSN
0250-8303
CODEN
ICQUD

INIS

Country of Publication
Costa Rica
Country of Input or Organization
Costa Rica
INIS RN
37111022
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Descriptors DEI
ALKYL RADICALS; ATOMS; CHEMICAL REACTION KINETICS; ENTHALPY; EQUILIBRIUM; MOLECULAR ORBITAL METHOD; ORGANIC COMPOUNDS; THERMODYNAMICS
Descriptors DEC
CALCULATION METHODS; KINETICS; PHYSICAL PROPERTIES; RADICALS; REACTION KINETICS; THERMODYNAMIC PROPERTIES

Optional Information

Notes
Tab., refs.