A new approach to describe elemental-property parameters

Chem. Met. Alloys 1 (2008) 1-23

https://doi.org/10.30970/cma1.0007

Pierre VILLARS, Jo DAAMS, Yoshihiro SHIKATA, Krishna RAJAN, Shuichi IWATA

The atomic number (AN) of the elements together with their ‘periodic number’ (PN) were found to form an efficient pair for the discussion of metallurgical and structural problems. The periodic number PN represents a different enumeration of the elements, emphasizing the role of the valence electrons. In contrast to the atomic number, PN depends in details on the underlying Periodic Table of the elements. As a first result we describe the elemental-property parameters ‘atomic size SZ_a’ and ‘atomic reactivity RE_a’, derived from fits to various experimental and theoretical data sets. These two parameters can be approximated as simple functions of AN and PN:

SZ_a = k_SZ [log (AN + 1)] [k_PN – (log PN)³],

RE_a = k_RE {[log (AN + 1)] [k_PN – (log PN)³]}^-1 = k_SZ k_RE (SZ_a)^-1,

where k_PN is a scaling factor, and k_SZ, k_RE are fit parameters for a fit to experimental data. We argue that all elemental-property parameter patterns are derived from AN and PN. AN and PN represent fundamental elemental-property parameters independent from each other. Any pattern, which shows well-defined functional behavior within each group number GN, as well as within each main quantum number QN, can be included. On the example of compound formers/non-formers in binary, ternary and quaternary chemical systems we demonstrate that a quantitative link exists between material properties and AN, PN (or simple functions of both) of the constituent elements.

Separation of 2318 binary systems into compound formers and non-formers.

Keywords

Electronegativity / Atomic radii / Chemical elements