%0 Book
%T Revealing the binding mechanism of phosphates at the mineral-water interface: insights from QM/MM molecular dynamics simulations
%A Ganta, Prasanth Babu
%D 2023
%C Rostock
%C Universität Rostock
%G English
%F 1930915071
%O vorgelegt von Prasanth Babu Ganta
%O Enthält Zeitschriftenartikel
%O GutachterInnen: Oliver Kühn (Institut für Physik, Universität Rostock) ; Ashour Ahmed (Institut für Physik, Universität Rostock) ; Daniel Tunega (Institute of Soil Research (IBF), BOKU University, Wien)
%O Dissertation Universität Rostock 2024 Kumulative Dissertation
%X Phosphorus (P) is essential for all life forms and is crucial for global food security. With concerns about a potential P peak scenario affecting P importing nations, sustainable P extraction methods are necessary. This thesis employs quantum mechanical/molecular mechanical (QM/MM) method based molecular dynamics simulations to examine common phosphates phosphoric acid, glycerolphosphate and inositolhexaphosphate interaction with P-fixing minerals goethite and its isomorphous diaspore. This interdisciplinary approach enhances our understanding of phosphate binding in soil.<eng>
%L 530
%9 theses
%9 Text
%9 Hochschulschrift
%R 10.18453/rosdok_id00004870
%U https://purl.uni-rostock.de/rosdok/id00004870
%U https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00004870-1
%U https://d-nb.info/1372071881/34
%U https://doi.org/10.18453/rosdok_id00004870