{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["McMahon ME"],"funding":["Division of Materials Research","Office of the Under Secretary of Defense","Office of Naval Research"],"pagination":["19905-19916"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9065381"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["9(35)"],"pubmed_abstract":["A chemical stability map is advanced by incorporating ion complexation, solubility, and chemical trajectories to predict ZnO, Zn(OH)<sub>2</sub>, ZnCO<sub>3</sub>, ZnCl<sub>2</sub>, Zn<sub>5</sub>(CO<sub>3</sub>)<sub>2</sub>(OH)<sub>6</sub>, and Zn<sub>5</sub>(OH)<sub>8</sub>Cl<sub>2</sub>·H<sub>2</sub>O precipitation as a function of the total Zn content and pH of an NaCl solution. These calculations demonstrate equilibrium stability of solid Zn products often not considered while tracking the consumed and produced aqueous Zn ion species concentrations through chemical trajectories. The effect of Cl-based ligand formation is incorporated into these stability predictions, enabling enhanced appreciation for the local corrosion conditions experienced at the Zn surface in chloride-containing "],"journal":["RSC advances"],"pubmed_title":["Advanced chemical stability diagrams to predict the formation of complex zinc compounds in a chloride environment."],"pmcid":["PMC9065381"],"funding_grant_id":["FA7000-14-2-0010","N000141512491","1309999"],"pubmed_authors":["McMahon ME","Santucci RJ","Scully JR"],"additional_accession":[]},"is_claimable":false,"name":"Advanced chemical stability diagrams to predict the formation of complex zinc compounds in a chloride environment.","description":"A chemical stability map is advanced by incorporating ion complexation, solubility, and chemical trajectories to predict ZnO, Zn(OH)<sub>2</sub>, ZnCO<sub>3</sub>, ZnCl<sub>2</sub>, Zn<sub>5</sub>(CO<sub>3</sub>)<sub>2</sub>(OH)<sub>6</sub>, and Zn<sub>5</sub>(OH)<sub>8</sub>Cl<sub>2</sub>·H<sub>2</sub>O precipitation as a function of the total Zn content and pH of an NaCl solution. These calculations demonstrate equilibrium stability of solid Zn products often not considered while tracking the consumed and produced aqueous Zn ion species concentrations through chemical trajectories. The effect of Cl-based ligand formation is incorporated into these stability predictions, enabling enhanced appreciation for the local corrosion conditions experienced at the Zn surface in chloride-containing ","dates":{"release":"2019-01-01T00:00:00Z","publication":"2019 Jun","modification":"2025-04-05T13:24:32.512Z","creation":"2025-04-05T13:24:32.512Z"},"accession":"S-EPMC9065381","cross_references":{"pubmed":["35514710"],"doi":["10.1039/c9ra00228f"]}}