Element module of Thermo-Prop software

 

Element module


It has long been recognized that the combination of analysis and synthesis of thermodynamic properties is an important source of information on the phase stability of transition metals and alloys. There is an extensive set of experimental thermochemical data available. Thermodynamic data for the condensed phases of pure elements currently used by SGTE (Scientific Group Thermodata Europe) are the most reliable. SGTE is a consortium of seven organizations in Western Europe (LTPCM Grenoble, Association THERMODATA, IRSID, RWTH Aachen, KTH Stockholm, NPL and Harwell) engaged in the compilation of a comprehensive, self consistent and authoritative thermochemical data for inorganic and metallurgical systems. The main purpose of the database lies in its use in calculation of phase equilibria in multicomponent systems which puts a premium on the interconsistency of the data and thereby on their traceability to the data for the elements.


Element module contains thermophysical properties (Gibbs energy, enthalpy, entropy, specific heat capacity, thermal conductivity and density from the liquid state down to room temperature) for the following elements: Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Nd, Ni, Np, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr.



Input data

· Data of the THERMO-PROP data bank

· Program’s module contains thermodynamic data

· Automatic input, not for user

Output data

· Thermophysical data

· Gibbs energy

· Enthalpy

· Entropy

· Specific heat capacity

· Thermal conductivity

· Density

· Abbreviations (Crystal structure types)

· CUB - Simple cubic

· FCC - Face-centred cubic

· BCC - Body-centred cubic

· TET - Simple tetragonal

· BCT - Body-centred tetragonal

· HEX - Simple hexagonal

· HCP - Hexagonal close-packed

· DHCP - Double hexagonal close-packed

· ORT - Orthorhombic

· TRI - Triclinic

· RHO - Simple rhombohedral

· BETA_RHO - Beta rhombohedral

· MONO - Monoclinic

· DIA - Diamond cubic

· GRAPHITE_HEX - Graphite hexagonal

· GAMMA - Gamma hexagonal

· WHITE - White tetrahedral

· LIQUID - Liquid state

For pure elements, the results are displayed as xx, where xx refers to element’s designation (2 characters). In the sampling module, "all" refers to all range; "solid" refers to solid range; and "liquid" refers to liquid range.