title: Computer simulation of the distribution of aluminum speciation in soil solutions in equilibrium with the mineral phase imogolite.
abstract: The speciation of aluminum (Al) is a critical issue when evaluating the environmental and biological significance of elevated Al concentrations in soil solutions caused by acidic precipitation. Numerous studies have revealed that, with increased concentrations of silica acid in soil, the activity of Al species in soil solutions is greatly modified by SiO(4)(2-). However, thus far there has been little thorough theoretical modeling of this subject. This paper reports a computer simulation of the distribution of Al speciation in soil solutions in equilibrium with the mineral phase imogolite based on a chemical equilibrium calculation. The unique characteristic associated with imogolite reported by previous researchers can be explained theoretically by the proposed model. The dissolved silica has a remarkable influence on Al speciation: increasing concentrations of silica acid may effectively inhibit the formation of polymeric alumino-hydroxo species, and, furthermore, detoxify Al toxicity to plants.
authors.affiliation: State Key Laboratory of Coordination Chemistry, Department of Chemistry, Nanjing University, Nanjing 210093, PR China. bisp@nju.edu.cn
authors.forename: S
authors.initials: S
authors.lastname: Bi
authors.forename: S
authors.initials: S
authors.lastname: An
authors.forename: W
authors.initials: W
authors.lastname: Tang
authors.forename: R
authors.initials: R
authors.lastname: Xue
authors.forename: L
authors.initials: L
authors.lastname: Wen
authors.forename: F
authors.initials: F
authors.lastname: Liu
mesh_terms: D000535:Aluminum / Q000032:analysis*; D000538:Aluminum Silicates / Q000737:chemistry*; D002170:Canada; D003198:Computer Simulation; D005387:Finland; D006863:Hydrogen-Ion Concentration; D007616:Kaolin / Q000737:chemistry; D019016:Mineral Fibers; D009994:Osmolar Concentration; D012987:Soil / Q000032:analysis*; D012996:Solutions; D013548:Sweden
chemical_list: D000538:Aluminum Silicates; D019016:Mineral Fibers; D012987:Soil; D012996:Solutions; C049037:aluminosilicate; D007616:Kaolin; D000535:Aluminum