Index of content:
Volume 15, Issue 3, July 1986
Computer Methods Applied to the Assessment of Thermochemical Data. Part 1. The Establishment of a Computerized Thermochemical Data Base Illustrated by Data for TiCl4(g), TiCl4(l), TiCl3(cr), and TiCl2(cr)15(1986); http://dx.doi.org/10.1063/1.555760View Description Hide Description
Computer methods are described for the storage, retrieval, and processing of large amounts of thermochemical data and related textual material. The procedures are illustrated by a critical evaluation of data for TiCl4(g), TiCl4(l), TiCl3(cr), and TiCl2(cr); values for standard enthalpies of formation and entropies at 298.15 K are selected for these species.
15(1986); http://dx.doi.org/10.1063/1.555761View Description Hide Description
This work reviews and discusses the data on the various thermodynamic properties of iron and silicon available through March 1984. These include heat capacity,enthalpy,enthalpies of transition and melting,vapor pressure, and enthalpy of vaporization. The recommended values for heat capacity,enthalpy,entropy, and Gibbs energy function cover the temperature range from 1 to 3200 K for iron and 1 to 3600 K for silicon. The recommended values for vapor pressure cover the temperature range from 298.15 to 3200 K for iron and from 298.15 to 3600 K for silicon. These values are referred to temperatures based on the International Practical Temperature Scale of 1968. The energy units used are joules per mol (J mol− 1). The uncertainties in the recommended values of the heat capacity range from ±1.5% to ±5%.
15(1986); http://dx.doi.org/10.1063/1.555762View Description Hide Description
Data have been compiled on the cross sections for collisions of electrons and photons with nitrogen molecules (N2). For electroncollisions, the processes considered are: total scattering, elastic scattering, momentum transfer, excitations of rotational, vibrational and electronic states, dissociation, and ionization.Ionization and dissociation processes are discussed for photon impact. Cross section data selected are presented graphically. Spectroscopic and other properties of the nitrogen molecule are summarized. The literature was surveyed through the end of 1984, but some more recent data are included when useful.
15(1986); http://dx.doi.org/10.1063/1.555757View Description Hide Description
A comprehensive tabulation of the standard enthalpy change, ΔH °, entropy change, ΔS °, and free energy change, ΔG °, for the formation of ion clusters from ion‐molecule association reactions is given. The experimental methods which are used to derive the data are briefly discussed. For some experiments, dissociation energies of ion clusters are reported and listed under the category of ΔH °. The relationship between ΔH ° and dissociation energy is discussed in the text.
15(1986); http://dx.doi.org/10.1063/1.555758View Description Hide Description
The available experimental liquid‐phase thermal conductivity data for water, toluene, and n‐heptane have been examined with the intention of establishing standard reference values along the saturation line. The quality of available data is such that for toluene and water new standard reference values can be proposed with confidence limits better than ±1.0% for most of the normal liquid range. For n‐heptane there are insufficient reliable experimental data for the system to be treated as a primary reference standard, so a lower quality correlation has been developed which yields a set of secondary reference data with confidence limits of ±1.5% for most of the normal liquid range.
15(1986); http://dx.doi.org/10.1063/1.555759View Description Hide Description
This document contains evaluated data on the kinetics and thermodynamic properties of species that are of importance in methanepyrolysis and combustion. Specifically, the substances considered include H, H2, O, O2, OH, HO2, H2O2, H2O, CH4, C2H6, HCHO, CO2, CO, HCO, CH3, C2H5, C2H4, C2H3, C2H2, C2H, CH3CO, CH3O2, CH3O, singlet CH2, and triplet CH2. All possible reactions are considered. In arriving at recommended values, first preference is given to experimental measurements. Where data do not exist, a best possible estimate is given. In making extrapolations, extensive use is made RRKM calculations for the pressure dependence of unimolecular processes and the BEBO method for hydrogen transfer reactions. In the total absence of data, recourse is made to the principle of detailed balancing, thermokinetic estimates, or comparisons with analogous reactions. The temperature range covered is 300–2500 K and the density range 1×1016–1×1021 molecules/cm3. This data base forms a subset of the chemical kinetic data base for all combustion chemistry processes. Additions and revisions will be issued periodically.