TY  - BOOK
AU  - Ganta, Prasanth Babu
PY  - 2023
DA  - 2023//
TI  - Revealing the binding mechanism of phosphates at the mineral-water interface: insights from QM/MM molecular dynamics simulations
PB  - Universität Rostock
CY  - Rostock
AB  - 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>
UR  - https://purl.uni-rostock.de/rosdok/id00004870
UR  - https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00004870-1
UR  - https://d-nb.info/1372071881/34
UR  - https://doi.org/10.18453/rosdok_id00004870
DO  - 10.18453/rosdok_id00004870
LA  - English
N1  - vorgelegt von Prasanth Babu Ganta
ID  - 1930915071
ER  -