Publication
Entropy terms in statistical thermodynamic analysis formula for non-stoichiometric interstitial compounds
| dc.contributor.author | Shohoji, Nobumitsu | |
| dc.date.accessioned | 2020-03-19T15:21:18Z | |
| dc.date.available | 2020-03-19T15:21:18Z | |
| dc.date.issued | 2019 | |
| dc.description.abstract | ABSTRACT: A series of statistical thermodynamic analyses were made since 1974 for different types of non-stoichiometric interstitial compounds MXx under simplifying a priori assumption of constant interaction energy E(X-X) between nearest neighbour interstitial atoms X within a homogeneity composition range of MXx at arbitrary temperature T [K]. Mode of distribution of X atoms in interstitial sites in MXx lattice is represented by number θ of available interstitial sites for occupation by X atoms per M atom and the value of θ is determined to fulfil the a priori assumption. Mode of atomic configuration would yield major contribution to entropy term ∆S that appears in conventional thermodynamic expression of Gibbs free energy of formation, ∆G, in form of T∆S. In the statistical thermodynamic formulation, contribution of tightly bound electron appearing in form of RT ln fX where fX refers to atomic partition function of X atom in the MXx lattice and R the universal gas constant. Judging from this mathematical form of the term, R ln fX is considered to represent entropic contribution from tightly bound electron to X atom in MXx lattice. In the published series of works on statistical thermodynamic analysis for non-stoichiometric interstitial compounds, calculated values for R ln fX were reported but they were not reviewed with serious attention because R ln fX was considered merely as a secondary factor compared to principal factor E(X-M) referring to interaction energy between X and M in MXx lattice that represents enthalpy ∆H in conventional thermodynamic term. In this review article, consideration is given exclusively to the factor R ln fX evaluated in statistical thermodynamic approach to non-stoichiometric interstitial compounds. | pt_PT |
| dc.description.version | info:eu-repo/semantics/publishedVersion | pt_PT |
| dc.identifier.citation | Shohoji, Nobumitsu - Entropy terms in statistical thermodynamic analysis formula for non-stoichiometric interstitial compounds. In: International Journal of Materials and Chemistry, 2019, Vol. 9(1), p. 13-22 | pt_PT |
| dc.identifier.doi | 10.5923/j.ijmc.20190901.02 | pt_PT |
| dc.identifier.issn | 2166-5346 | |
| dc.identifier.uri | http://hdl.handle.net/10400.9/3190 | |
| dc.language.iso | eng | pt_PT |
| dc.peerreviewed | yes | pt_PT |
| dc.publisher | Scientific & Academic Publishing | pt_PT |
| dc.relation.publisherversion | https://doi.org/10.5923/j.ijmc.20190901.02 | pt_PT |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt_PT |
| dc.subject | Statistical thermodynamics | pt_PT |
| dc.subject | Non-stoichiometry | pt_PT |
| dc.subject | Interstitial compound | pt_PT |
| dc.subject | Entropy terms | pt_PT |
| dc.title | Entropy terms in statistical thermodynamic analysis formula for non-stoichiometric interstitial compounds | pt_PT |
| dc.type | journal article | |
| dspace.entity.type | Publication | |
| oaire.citation.endPage | 22 | pt_PT |
| oaire.citation.startPage | 13 | pt_PT |
| oaire.citation.title | International Journal of Materials and Chemistry | pt_PT |
| oaire.citation.volume | 9 | pt_PT |
| person.familyName | SHOHOJI | |
| person.givenName | Nobumitsu | |
| person.identifier.orcid | 0000-0002-9499-7280 | |
| person.identifier.rid | A-5751-2012 | |
| rcaap.rights | openAccess | pt_PT |
| rcaap.type | article | pt_PT |
| relation.isAuthorOfPublication | a3396e58-3598-42de-97a9-9b11f7c2e9d9 | |
| relation.isAuthorOfPublication.latestForDiscovery | a3396e58-3598-42de-97a9-9b11f7c2e9d9 |