title: Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool.
abstract: Zinc-aluminum layered double hydroxides with nitrate intercalated (Zn(n)Al-NO3, n=Zn/Al) is an intermediate material for the intercalation of different functional molecules used in a wide range of industrial applications. The synthesis of Zn(2)Al-NO3 was investigated considering the time and temperature of hydrothermal treatment. By examining the crystallite size in two different directions, hydrodynamic particle size, morphology, crystal structure and chemical species in solution, it was possible to understand the crystallization and dissolution processes involved in the mechanisms of crystallite and particle growth. In addition, hydrogeochemical modeling rendered insights on the speciation of different metal cations in solution. Therefore, this tool can be a promising solution to model and optimize the synthesis of layered double hydroxide-based materials for industrial applications.
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: Tiago L P
authors.initials: TLP
authors.lastname: Galvão
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: Cristina S
authors.initials: CS
authors.lastname: Neves
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: Ana P F
authors.initials: APF
authors.lastname: Caetano
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: Frederico
authors.initials: F
authors.lastname: Maia
authors.affiliation: Smallmatek, Small Materials and Technologies, Rua dos Canhas, 3810-075 Aveiro, Portugal.
authors.forename: Diogo
authors.initials: D
authors.lastname: Mata
authors.affiliation: Smallmatek, Small Materials and Technologies, Rua dos Canhas, 3810-075 Aveiro, Portugal.
authors.forename: Eliana
authors.initials: E
authors.lastname: Malheiro
authors.affiliation: Smallmatek, Small Materials and Technologies, Rua dos Canhas, 3810-075 Aveiro, Portugal.
authors.forename: Maria J
authors.initials: MJ
authors.lastname: Ferreira
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: Alexandre C
authors.initials: AC
authors.lastname: Bastos
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: Andrei N
authors.initials: AN
authors.lastname: Salak
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: José R B
authors.initials: JRB
authors.lastname: Gomes
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal. Electronic address: joao.tedim@ua.pt.
authors.forename: João
authors.initials: J
authors.lastname: Tedim
authors.affiliation: CICECO-Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal.
authors.forename: Mário G S
authors.initials: MGS
authors.lastname: Ferreira
keywords: Hydrogeochemical modeling; Layered double hydroxides; Ostwald ripening; Periodic DFT