{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,12]],"date-time":"2026-11-12T09:14:58Z","timestamp":1794474898584,"version":"4.9.1"},"reference-count":22,"publisher":"American Chemical Society (ACS)","issue":"6","license":[{"start":{"date-parts":[[2024,1,31]],"date-time":"2024-01-31T00:00:00Z","timestamp":1706659200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100012476","name":"Fundamental Research Funds for Central Universities of the Central South University","doi-asserted-by":"publisher","award":["2018zzts157"],"award-info":[{"award-number":["2018zzts157"]}],"id":[{"id":"10.13039\/501100012476","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Fundamental Research Program of Shanxi Province","award":["202203021222028"],"award-info":[{"award-number":["202203021222028"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2024,2,13]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Aiming at the current lack of thermodynamic parameters related to the preparation of aluminum\u2013silicon\u2013iron alloys from spent refractory materials in aluminum electrolytic cells, the Miedema model was used to calculate the thermodynamic parameters of Al\u2013Si, Al\u2013Fe, and Si\u2013Fe binary alloys. On this basis, the Toop model was combined to calculate the mixing enthalpy \u0394H, excess entropy SE, excess Gibbs free energy GE, and component activity \u03b1 of Al\u2013Si\u2013Fe ternary alloys. The results show that \u0394H, SE, and GE of binary alloys are all negative values. The properties of the Al element and Si element are similar, and they are different from the Fe element. The ternary alloys also have negative values of \u0394H, SE, and GE in the alloy composition range, and their values change obviously in the region where the content of Fe is high or low. The activity values of all components decrease dramatically along with the diminishing of the corresponding molar fractions, and the activity values of Al, Si, and Fe are smaller in the central portion of the triangle of ternary components. It indicates that there is a strong interaction between the three elements, which easily forms ternary intermetallic compounds.<\/jats:p>","DOI":"10.1021\/acsomega.3c03921","type":"journal-article","created":{"date-parts":[[2024,1,31]],"date-time":"2024-01-31T00:06:00Z","timestamp":1706659560000},"page":"6316-6324","source":"Crossref","is-referenced-by-count":11,"title":["Theoretical Investigation of Thermodynamic Properties\nof the Al\u2013Si\u2013Fe Ternary Alloy"],"prefix":"10.1021","volume":"9","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5362-6678","authenticated-orcid":true,"given":"Wenyuan","family":"Hou","sequence":"first","affiliation":[{"name":"North University of China , , ,","place":["Taiyuan, China, 030051"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiaoru","family":"Wang","sequence":"additional","affiliation":[{"name":"Central South University , , ,","place":["Changsha, China, 410083"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hesong","family":"Li","sequence":"additional","affiliation":[{"name":"Central South University , , ,","place":["Changsha, China, 410083"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,1,31]]},"reference":[{"key":"2026081709181366400_cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jclepro.2023.136072","article-title":"Feasibility\nof reuse of modified\nelectrolytic aluminium spent refractory material in asphalt and assessment\nof its environmental stability","volume":"389","author":"Tu","year":"2023","journal-title":"J. Cleaner Prod."},{"key":"2026081709181366400_cit2","unstructured":"Hou, W.\n          \n          Theoretical and\nApplication Study on Co-Processing Spent Refractory Materials in the\nAluminum Reduction Cell, Ph.D. Dissertation; Central South University: China, 2021."},{"key":"2026081709181366400_cit3","doi-asserted-by":"publisher","first-page":"1639","DOI":"10.1007\/s11837-017-2437-0","article-title":"Spent pot lining\ncharacterization framework","volume":"69","author":"Ospina","year":"2017","journal-title":"JOM"},{"key":"2026081709181366400_cit4","first-page":"6","article-title":"Present situation of\ntreatment technology of spent pot lining aluminum electrolysis","volume":"52","author":"Li","year":"2020","journal-title":"Inorg. Chem. Ind."},{"key":"2026081709181366400_cit5","unstructured":"Li, H.; Hou, W.; Cui, T.\n          A method for treating aluminum silicate\nsolid waste in waste lining of aluminum electrolytic cell. China Patent, CN111005038, 2021."},{"key":"2026081709181366400_cit6","unstructured":"Li, H.; Hou, W.; Xu, T.\n          A preparation method of aluminum-silicon-iron\nalloy. China Patent, CN109913911, 2019."},{"key":"2026081709181366400_cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.jclepro.2020.125162","article-title":"Recycling of spent\nrefractory materials\nto produce Al-Si master alloys via the aluminum reduction cell","volume":"289","author":"Hou","year":"2021","journal-title":"J. Cleaner Prod."},{"key":"2026081709181366400_cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmatprotec.2019.116586","article-title":"Improvement in mechanical,\nthermal conductivity and corrosion performances of a new high-thermally\nconductive Al-Si-Fe alloy through a novel R-HPDC process","volume":"279","author":"Qi","year":"2020","journal-title":"J. Mater. Process. Technol."},{"key":"2026081709181366400_cit9","doi-asserted-by":"publisher","first-page":"2346","DOI":"10.1016\/S1003-6326(14)63355-0","article-title":"Microstructure and\ncompressive deformation of hypereutectic Al-Si-Fe based P\/M alloys\nfabricated by spark plasma sintering","volume":"24","author":"Kim","year":"2014","journal-title":"Trans.\nNonferrous Met. Soc. China"},{"key":"2026081709181366400_cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.physb.2022.414254","article-title":"Thermodynamic and kinetic analysis of ternary intermetallics\nformation\nin Al\u2013Cu\u2013La alloy","volume":"646","author":"Zou","year":"2022","journal-title":"Phys. B"},{"key":"2026081709181366400_cit11","first-page":"1806","article-title":"Calculation of thermodynamic\nproperties of Al-Zr, Al-Y and Zr-Y binary alloy melts","volume":"44","author":"Li","year":"2013","journal-title":"J. Cent. South Univ."},{"key":"2026081709181366400_cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.calphad.2019.101647","article-title":"Enthalpy of formation of binary solid and liquid Mg\nalloys - Comparison of Miedema-mode calculations with data reported\nin literature","volume":"68","author":"Boom","year":"2020","journal-title":"Calphad"},{"key":"2026081709181366400_cit13","first-page":"628","article-title":"Thermodynamic properties\nof Al-Cu-RE ternary alloys calculated with Miedema\u2019s theory","volume":"44","author":"Zhang","year":"2015","journal-title":"Rare Met. Mater. Eng."},{"key":"2026081709181366400_cit14","doi-asserted-by":"publisher","first-page":"374","DOI":"10.1007\/s11595-014-0924-5","article-title":"Calculation of thermodynamic parameters of Mg-Al-Y Alloy","volume":"29","author":"Huang","year":"2014","journal-title":"J. Wuhan Univ. Technol."},{"key":"2026081709181366400_cit15","volume-title":"Theory of Alloy Phase\nFormation","author":"Miedema","year":"1980"},{"key":"2026081709181366400_cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.rinp.2020.102969","article-title":"Estimation\nof the\nfunctions of some iron-based ternary systems within Miedema model\nand comparison with experiment","volume":"16","author":"Alsaedi","year":"2020","journal-title":"Results Phys."},{"key":"2026081709181366400_cit17","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/0378-4363(80)90054-6","article-title":"Cohesion in alloys-fundamentals of\na semi-empirical model","volume":"100","author":"Miedema","year":"1980","journal-title":"Phys. B+C"},{"key":"2026081709181366400_cit18","doi-asserted-by":"publisher","first-page":"366","DOI":"10.1016\/j.calphad.2015.01.073","article-title":"Comparison of Muggianu model, Toop\nmodel and General solution model for predicting the thermodynamic\nproperties of Mg-Al-Zn system","volume":"51","author":"Luo","year":"2015","journal-title":"Calphad"},{"key":"2026081709181366400_cit19","doi-asserted-by":"publisher","first-page":"175","DOI":"10.1016\/j.jallcom.2005.10.047","article-title":"Enthalpies\nof formation for the Al\u2013Cu\u2013Ni\u2013Zr quaternary alloys\ncalculated via a combined approach of geometric model and Miedema\ntheory","volume":"420","author":"Ouyang","year":"2006","journal-title":"J. Alloys Compd."},{"key":"2026081709181366400_cit20","first-page":"1974","article-title":"Calculation\nof thermodynamic parameters of Al-Si-Er\nalloy based on Miedema model and Toop model","volume":"39","author":"Sun","year":"2010","journal-title":"Rare Met. Mater. Eng."},{"key":"2026081709181366400_cit21","first-page":"595","article-title":"Theoretical calculation of surface\ntension of Ag-Au-Cu alloy","volume":"30","author":"Tang","year":"2020","journal-title":"Chin. J. Nonferrous\nMet."},{"key":"2026081709181366400_cit22","doi-asserted-by":"publisher","first-page":"67","DOI":"10.1016\/0364-5916(89)90040-0","article-title":"The application\nof R function to new asymmetric model and toop model","volume":"13","author":"Li","year":"1989","journal-title":"Calphad"}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.3c03921","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/9\/6\/6316\/4436175\/ao3c03921.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/acsodf\/article-pdf\/9\/6\/6316\/4436175\/ao3c03921.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T13:30:04Z","timestamp":1786973404000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/acsodf\/article\/9\/6\/6316\/432646\/Theoretical-Investigation-of-Thermodynamic"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,1,31]]},"references-count":22,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2024,1,31]]},"published-print":{"date-parts":[[2024,2,13]]}},"URL":"https:\/\/doi.org\/10.1021\/acsomega.3c03921","relation":{},"ISSN":["2470-1343"],"issn-type":[{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,1,31]]}}}