Study On The States Density Of Floatation Collector Molecular And Its Chelating Action With Metal Ions

Collectors were the most important agents for floatation.To a large extent,the advancement and development in floatation technology depended on the development and application of floatation collectors.In this paper,density functional theory was used to study the influence of the molecular structure of the floatation collectors to common sulfide minerals on the density of electronic states.The relationship between molecular structure and electronic properties of floatation collectors was established.Six types of collectors such as S.S-type,O.O-type,N.N-type,S.N-type,O.N-type,and S.O-type were systematically studied,interacting with Cu,Pb,Zn,and Fe 4 kinds of divalent metal ions,respectively,through the action configuration,chelate structure,and electronic density of states.From those perspective of research,the main findings were as follows:(1)The relationship between molecular structure,properties and density of states of floatation collectors in sulfide ore.The density of electronic states helped determine the electronic activity and bonding ability of floatation reagents,providing an effective and feasible basis for studying the collection capability and selectivity of floatation reagents.(2)Characters of S.S-type chelating collectors with metal ions.When ethyl xanthate was reacting with metal ions,the single-bonded sulfur atom and the double-bonded sulfur atom in the active group were in a resonant state and had the same electrochemical activity;when the ethyl aerofloat and the metal ion were acting,a single-bonded sulfur atom and double-bonded sulfur atom in the active group were in a resonant state,forming a disappear of double bond between the phosphorus atom and sulfur atom in ethyl aerofloat;the single-bonded sulfur atom and double-bonded sulfur atom in ethyl sulfur nitrogen reacting with the metal ion,resonance occurs;the reaction structures of lead Ion and ethyl xanthate,ethyl aerofloat,ethyl sulfur nitrogen and mercaptobenzothiazole were all cone-shaped and had lead ions at the top.(3)Characters of O.O-type chelating collectors with metal ions.When oleic acid interacted with metal ions,both the single-bonded oxygen atom and the double-bonded oxygen atom of the oleic acid molecule participated in the reaction,and the oleic acid interacted strongly with copper and iron;when reacting with salicyl hydroxamic acid,metal ion bonds with both hydroxyl oxygen and carbonyl oxygen in salicyl hydroxamic acid,and the reaction of metal ions and hydroxyl oxygen was stronger;when metal atom reacting with paratoluene,not only the two hydroxyl oxygen had bonding activity,arsenic atoms would also have a bonding effect;The configuration of the reaction between lead ions and oleic acid was still cone-shaped with lead ions at the top.(4)Characters of N.N-type chelating collectors with metal ions.Primary amines only formed bonds with iron ions.Secondary amines only formed bonds with copper ions.Tertiary amines did not form bonds with four metal ions,indicating that the nitrogen atoms in tertiary amines had no coordination ability.(5)Characters of S.N-type chelating collector with metal ions.N.N-Ethylene thiourea did not interact with copper ion,zinc ion and iron ion.Only lead ion and N.N-Ethylene thiourea formed a bond with sulfur atoms,and the effect was very weak,indicating N.N-ethylene thiourea hardly chelated with metal ions.(6)Characters of O.N-type chelating collectors with metal ions.The binding ability of hydroxyl oxygen was stronger than that of nitrogen atom in 8-hydroxyquinoline.The nitrogen atom in the salicylaldoxime and the hydroxy oxygen linked to the benzene ring all formed bonds with the metal ion,and the metal iron ion and salicylaldoxime had the strongest effect.The configuration of lead ion with 8-hydroxyquinoline and salicylaldoxime were both cone-shaped having the lead ion at the top.(7)Characters of S.O-type chelating collectors with metal ions.Thiocarboxylic acid had the strongest interaction with copper ions,while thiocarboxylic acid did not react with iron ions.The configuration of thiocarboxylic acid and lead ion were cone-shaped and lead ion was on the top.