{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T13:34:28Z","timestamp":1786628068554,"version":"build-2736575974"},"reference-count":34,"publisher":"American Chemical Society (ACS)","issue":"8","license":[{"start":{"date-parts":[[2027,7,3]],"date-time":"2027-07-03T00:00:00Z","timestamp":1814572800000},"content-version":"vor","delay-in-days":365,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,7,3]],"date-time":"2026-07-03T00:00:00Z","timestamp":1783036800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,7,3]],"date-time":"2026-07-03T00:00:00Z","timestamp":1783036800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,7,3]],"date-time":"2026-07-03T00:00:00Z","timestamp":1783036800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100000038","name":"Natural Sciences and Engineering Research Council of Canada","doi-asserted-by":"publisher","award":["RGPIN-2023-04164"],"award-info":[{"award-number":["RGPIN-2023-04164"]}],"id":[{"id":"10.13039\/501100000038","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,8,13]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Solid\u2013liquid equilibria of aqueous transition-metal sulfate solutions are relevant to hydrometallurgical processes, including those arising in the recycling of lithium-ion batteries. However, for many ternary systems, the solubility limits are known only in limited temperature ranges, and the nature of the solids formed is unresolved. We perform material balance solubility measurements combined with theoretical modeling to study the solubility limits of the FeSO4\u2013NiSO4\u2013H2O system, which involves solid solutions. We characterize the composition of the solid solutions from 279.2 to 283.2 K using chemical analysis and powder X-ray diffraction. The agreement between the thermodynamic model and experimental compositions for the liquid and solid phases shows that the proposed equilibrium constants, ideal solid solution model, and Pitzer equations employed allow fair modeling of phase equilibria.<\/jats:p>","DOI":"10.1021\/acs.jced.5c00736","type":"journal-article","created":{"date-parts":[[2026,7,3]],"date-time":"2026-07-03T06:43:12Z","timestamp":1783060992000},"page":"3595-3606","source":"Crossref","is-referenced-by-count":0,"title":["Material Balance\nProbing of Aqueous Iron\u2013Nickel\nSulfate Solid\u2013Liquid Equilibria from 279.2 to 283.2 K"],"prefix":"10.1021","volume":"71","author":[{"given":"Eduarda","family":"Depine\u0301 Dornelles Da Silva","sequence":"first","affiliation":[{"name":"Polytechnique Montreal , , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]},{"name":"Centre for Research in Computational Thermochemistry , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kentaro","family":"Oishi","sequence":"additional","affiliation":[{"name":"Polytechnique Montreal , , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]},{"name":"Centre for Research in Computational Thermochemistry , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean-Philippe","family":"Harvey","sequence":"additional","affiliation":[{"name":"Polytechnique Montreal , , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]},{"name":"Centre for Research in Computational Thermochemistry , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5486-9559","authenticated-orcid":true,"given":"Julian","family":"Self","sequence":"additional","affiliation":[{"name":"Polytechnique Montreal , , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]},{"name":"Centre for Research in Computational Thermochemistry , , ,","place":["Montreal, Quebec, Canada, H3C 3A7"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,7,3]]},"reference":[{"key":"2026081308090992700_cit1","doi-asserted-by":"publisher","first-page":"1609","DOI":"10.3390\/met10121609","article-title":"Precipitation and crystallization used in the production\nof metal salts for li-ion battery materials: A review","volume":"10","author":"Ma","year":"2020","journal-title":"Metals"},{"key":"2026081308090992700_cit2","doi-asserted-by":"publisher","first-page":"18245","DOI":"10.1021\/ie5025326","article-title":"Process development\nfor the recycle of spent lithium ion batteries by chemical precipitation","volume":"53","author":"Cai","year":"2014","journal-title":"Ind. Eng. Chem. Res."},{"key":"2026081308090992700_cit3","doi-asserted-by":"publisher","first-page":"120308","DOI":"10.1016\/j.seppur.2021.120308","article-title":"Eutectic freeze crystallization\nfor recovery of NiSO4 and CoSO4 hydrates from\nsulfate solutions","volume":"286","author":"Ma","year":"2022","journal-title":"Sep. Purif. Technol."},{"key":"2026081308090992700_cit4","doi-asserted-by":"publisher","first-page":"2207","DOI":"10.1021\/acssuschemeng.7b03627","article-title":"Phase Transition\nof FeSO4\u00b77H2O to FeSO4\u00b7H2O in the H2SO4-HCl-H2O System\nby Modeling Solubility","volume":"6","author":"Zhou","year":"2018","journal-title":"ACS Sustainable Chem.\nEng."},{"key":"2026081308090992700_cit5","doi-asserted-by":"publisher","first-page":"2355","DOI":"10.1016\/0016-7037(87)90290-0","article-title":"Modelling chemical equilibria of acid mine-drainage:\nThe FeSO4-H2SO4-H2O system","volume":"51","author":"Reardon","year":"1987","journal-title":"Geochim. Cosmochim. Acta"},{"key":"2026081308090992700_cit6","doi-asserted-by":"publisher","first-page":"47","DOI":"10.2138\/rmg.2009.70.2","article-title":"Thermodynamics\nof solid solution-aqueous solution systems","volume":"70","author":"Prieto","year":"2009","journal-title":"Rev. Mineral. Geochem."},{"key":"2026081308090992700_cit7","doi-asserted-by":"publisher","first-page":"111706","DOI":"10.1016\/j.jpcs.2023.111706","article-title":"Phase formation\nin the NiSO4-CoSO4-H2O system and\nspecifications in the structures of single crystals of CoxNi(2\u2013x)(SO4)2\u00b712H2O","volume":"185","author":"Komornikov","year":"2024","journal-title":"J. Phys. Chem. Solids"},{"key":"2026081308090992700_cit8","doi-asserted-by":"publisher","first-page":"303","DOI":"10.2138\/rmg.2000.40.6","article-title":"Metal-sulfate Salts from Sulfide\nMineral Oxidation","volume":"40","author":"Jambor","year":"2000","journal-title":"Rev. Mineral. Geochem."},{"key":"2026081308090992700_cit9","doi-asserted-by":"publisher","first-page":"49","DOI":"10.1016\/j.jssc.2017.03.015","article-title":"Mixed sodium\nnickel-manganese sulfates: Crystal structure\nrelationships between hydrates and anhydrous salts","volume":"250","author":"Marinova","year":"2017","journal-title":"J. Solid State Chem."},{"issue":"52","key":"2026081308090992700_cit10","doi-asserted-by":"publisher","first-page":"701","DOI":"10.1134\/S1075701510080027","article-title":"Thermodynamics of arsenates,\nselenites,\nand sulfates in the oxidation zone of sulfide ores. II. Systems M1, M2\/\/SO42\u2013\u00b7H2O (M1, M2 = Fe2+, Fe3+, Cu2+, Zn2+, Pb2+, Ni2+, Co2+, H+) at 25 \u00b0C","volume":"52","author":"Charykova","year":"2010","journal-title":"Geol. Ore Depos."},{"key":"2026081308090992700_cit11","first-page":"968","article-title":"Nickeloan\nmelanterite from Sudbury Basin","volume":"65","author":"Rutstein","year":"1980","journal-title":"Am. 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Technol."},{"key":"2026081308090992700_cit13","doi-asserted-by":"publisher","first-page":"499","DOI":"10.1016\/j.calphad.2011.08.005","article-title":"Thermodynamic modelling\nof aqueous\nFe(II) sulfate solutions","volume":"35","author":"Kobylin","year":"2011","journal-title":"Calphad"},{"key":"2026081308090992700_cit14","first-page":"957","article-title":"Thermodynamics\nof concentrated aqueous solution of NiSO4","volume-title":"EMC, European Metallurgical Conference 2011","author":"Kobylin","year":"2011"},{"key":"2026081308090992700_cit15","volume-title":"Solubilities: Inorganic\nand metal-organic compounds: A compilation of solubility data from\nthe periodical literature","author":"Linke","year":"1965"},{"key":"2026081308090992700_cit16","volume-title":"De\u0301veloppement\nd\u2019un protocole expe\u0301rimental pour l\u2019e\u0301tude\ncine\u0301tique et thermodynamique de la dissolution des sulfates\nde fer et de cobalt dans le cadre du recyclage des batteries lithium-ion","author":"Ait Amer","year":"2023"},{"key":"2026081308090992700_cit17","doi-asserted-by":"publisher","first-page":"2080","DOI":"10.1016\/j.chemosphere.2007.02.015","article-title":"The effect of pH on the kinetics of spontaneous Fe(II) oxidation\nby O2 in aqueous solution - basic principles and a simple\nheuristic description","volume":"68","author":"Morgan","year":"2007","journal-title":"Chemosphere"},{"key":"2026081308090992700_cit18","doi-asserted-by":"publisher","first-page":"164","DOI":"10.1016\/j.mineng.2018.03.013","article-title":"Study on kinetics\nof Fe (II) oxidized by air in FeSO4-H2SO4 solutions","volume":"121","author":"Yuan","year":"2018","journal-title":"Miner. Eng."},{"key":"2026081308090992700_cit19","doi-asserted-by":"publisher","first-page":"4836","DOI":"10.1021\/ja01600a004","article-title":"Kinetics of the ferrous\nIron-Oxygen reaction in sulfuric\nacid solution","volume":"78","author":"Huffman","year":"1956","journal-title":"J. Am. Chem. Soc."},{"issue":"1","key":"2026081308090992700_cit20","doi-asserted-by":"publisher","first-page":"3773","DOI":"10.1038\/s41467-025-58962-5","article-title":"The size of\ncritical secondary nuclei\nof polymer crystals does not depend on supersaturation","volume":"16","author":"Liu","year":"2025","journal-title":"Nat. Commun."},{"key":"2026081308090992700_cit21","doi-asserted-by":"publisher","first-page":"D420","DOI":"10.1093\/nar\/gkr900","article-title":"Crystallography Open\nDatabase (COD): An open-access collection of crystal structures and\nplatform for world-wide collaboration","volume":"40","author":"Graz\u030culis","year":"2012","journal-title":"Nucleic\nAcids Res."},{"key":"2026081308090992700_cit22","doi-asserted-by":"publisher","first-page":"159","DOI":"10.1017\/S0885715621000373","article-title":"Review of\nthe direct derivation method: Quantitative phase analysis with observed\nintensities and chemical composition data","volume":"36","author":"Toraya","year":"2021","journal-title":"Powder\nDiffr."},{"key":"2026081308090992700_cit23","doi-asserted-by":"publisher","first-page":"486","DOI":"10.1021\/op300336n","article-title":"On the measurement\nof solubility","volume":"17","author":"Black","year":"2013","journal-title":"Org. Process Res. Dev."},{"key":"2026081308090992700_cit24","doi-asserted-by":"publisher","first-page":"2730","DOI":"10.1103\/PhysRevB.27.2730","article-title":"Cooperative\npseudo-Jahn-Teller effect\nof the Fe (H2O)62+complexes in the\nsulfate heptahydrates","volume":"27","author":"Siebke","year":"1983","journal-title":"Phys. Rev. B"},{"key":"2026081308090992700_cit25","doi-asserted-by":"publisher","first-page":"155704","DOI":"10.1103\/PhysRevLett.97.155704","article-title":"Configurational\nElectronic Entropy\nand the Phase Diagram of Mixed-Valence Oxides: The Case of Lix FePO4","volume":"97","author":"Zhou","year":"2006","journal-title":"Phys. Rev. Lett."},{"key":"2026081308090992700_cit26","doi-asserted-by":"publisher","first-page":"295","DOI":"10.1016\/j.calphad.2008.09.009","article-title":"FactSage thermochemical software and databases\u2500recent\ndevelopments","volume":"33","author":"Bale","year":"2009","journal-title":"Calphad"},{"key":"2026081308090992700_cit27","doi-asserted-by":"publisher","first-page":"392","DOI":"10.3390\/min11040392","article-title":"In situ High-Temperature\nX-ray powder diffraction and\ninfrared spectroscopic study of melanterite, FeSO4\u00b77H2O","volume":"11","author":"Lacalamita","year":"2021","journal-title":"Minerals"},{"key":"2026081308090992700_cit28","doi-asserted-by":"publisher","first-page":"506","DOI":"10.1111\/j.2042-7158.1984.tb04440.x","article-title":"The preparation\nand characterization of ferrous sulphate hydrates","volume":"36","author":"Mitchell","year":"1984","journal-title":"J. Pharm. Pharmacol."},{"key":"2026081308090992700_cit29","doi-asserted-by":"publisher","first-page":"821","DOI":"10.1134\/S1075701507080168","article-title":"Replacement of Nickelhexahydrite\nwith Retgersite: Polymorphic-Metasomatic\nStructures","volume":"49","author":"Kul\u2019kov","year":"2007","journal-title":"Geol. Ore Depos."},{"key":"2026081308090992700_cit30","doi-asserted-by":"publisher","first-page":"167","DOI":"10.1016\/0040-6031(80)80061-X","article-title":"The dehydration\nof nickel sulfate","volume":"41","author":"Friesen","year":"1980","journal-title":"Thermochim. Acta"},{"key":"2026081308090992700_cit31","doi-asserted-by":"publisher","first-page":"1943","DOI":"10.2138\/am-2003-11-1237","article-title":"Acquisition and\nevaluation of thermodynamic data for\nmorenosite-retgersite equilibria at 0.1 MPa","volume":"88","author":"Chou","year":"2003","journal-title":"Am. Mineral."},{"key":"2026081308090992700_cit32","volume-title":"Geochemistry\nResearch Advances","author":"Espan\u0303a","year":"2008"},{"key":"2026081308090992700_cit33","first-page":"83","article-title":"Occurrence of sulphate\nefflorescences in Sa\u0303o Domingos mine","volume":"104","author":"Gomes","year":"2017","journal-title":"Comun. Geol."},{"key":"2026081308090992700_cit34","doi-asserted-by":"publisher","first-page":"1485","DOI":"10.3390\/cryst11121485","article-title":"The effect of reaction\nconditions and presence of magnesium on the crystallization of nickel\nsulfate","volume":"11","author":"Jenssen","year":"2021","journal-title":"Crystals"}],"container-title":["Journal of Chemical &amp;\nEngineering Data"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jced.5c00736","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jceaax\/article-pdf\/71\/8\/3595\/65578943\/acs.jced.5c00736.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jceaax\/article-pdf\/71\/8\/3595\/65578943\/acs.jced.5c00736.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T12:53:50Z","timestamp":1786625630000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jceaax\/article\/71\/8\/3595\/5188315\/Material-Balance-Probing-of-Aqueous-Iron-Nickel"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,7,3]]},"references-count":34,"journal-issue":{"issue":"8","published-online":{"date-parts":[[2026,7,3]]},"published-print":{"date-parts":[[2026,8,13]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.jced.5c00736","relation":{},"ISSN":["0021-9568","1520-5134"],"issn-type":[{"value":"0021-9568","type":"print"},{"value":"1520-5134","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,7,3]]}}}