Untersuchung der Bildung nanoskaliger Metallsalzpartikel in hydrothermalen überkritischen wässrigen Lösungen mit Hilfe Molekulardynamischer Simulationen.

• Applicant: Dr. Norbert Lümmen
• Subject Area: Technical Thermodynamics ; Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
• Term: from 2006 to 2008
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 22278855

• Final Report Year: 2008

Final Report Abstract

Molecular dynamics simulations of salt precipitation from supercritical water were carried out. Nucleation and growth of NaCl, FeCl2, MnCl2 and mixed FeCl2/NaCl nano-particles were investigated. The obtained results improved the understanding of the dynamics of metal salt particle formation in aqueous media at high temperatures and pressures at the atomic level. They contribute to the understanding of such processes both in natural hydrothermal systems and technical applications of supercritical water.

Publications

• Phys. Chem. Chem. Phys. 9, 3251 (2007)
  N. Lümmen, B. Kvamme
  
• J Phys. Chem. B 112, 12374 (2008)
  N. Lümmen and B. Kvamme
  
• J. Supercrit. Fluids, 2008
  N. Lümmen and B. Kvamme
  (See online at https://doi.org/10.1063/1.3270158)
• Phys. Chem. Chem. Phys., 2008
  N. Lümmen and B. Kvamme
  (See online at https://doi.org/10.1039/b805725g)