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Journal Article (11)
2019
Journal Article
7 (1), pp. 1028 - 1037 (2019)
Solvation and Dynamics of CO2 in Aqueous Alkanolamine Solutions. ACS Sustainable Chemistry & Engineering 2018
Journal Article
122 (10), pp. 2769 - 2778 (2018)
Molecular Dynamics Study of the Solution Structure, Clustering, and Diffusion of Four Aqueous Alkanolamines. The Journal of Physical Chemistry B 2016
Journal Article
120 (24), pp. 13126 - 13138 (2016)
A Molecular Dynamics View on Hydrophilic Interaction Chromatography with Polar-Bonded Phases: Properties of the Water-Rich Layer at a Silica Surface Modified with Diol-Functionalized Alkyl Chains. The Journal of Physical Chemistry C 2015
Journal Article
119 (1), pp. 512 - 523 (2015)
Evaluation of Aqueous and Nonaqueous Binary Solvent Mixtures as Mobile Phase Alternatives to Water–Acetonitrile Mixtures for Hydrophilic Interaction Liquid Chromatography by Molecular Dynamics Simulations. The Journal of Physical Chemistry C
Journal Article
407, pp. 177 - 187 (2015)
A new view on surface diffusion from molecular dynamics simulations of solute mobility at chromatographic interfaces. Fluid Phase Equilibria 2013
Journal Article
85 (18), pp. 8850 - 8856 (2013)
How Ternary Mobile Phases Allow Tuning of Analyte Retention in Hydrophilic Interaction Liquid Chromatography. Analytical Chemistry
Journal Article
117 (13), pp. 6620 - 6631 (2013)
Adsorption of Water-Acetonitrile Mixtures to Model Silica Surfaces. The Journal of Physical Chemistry C 2012
Journal Article
51 (25), pp. 6251 - 6254 (2012)
A Molecular Dynamics Study on the Partitioning Mechanism in Hydrophilic Interaction Chromatography. Angewandte Chemie International Edition
Journal Article
124 (25), pp. 6355 - 6358 (2012)
Eine Moleküldynamikstudie zum Verteilungsmechanismus in der Hydrophilen Interaktionschromatographie. Angewandte Chemie 2011
Journal Article
83 (7), pp. 2569 - 2575 (2011)
Composition, Structure, and Mobility of Water−Acetonitrile Mixtures in a Silica Nanopore Studied by Molecular Dynamics Simulations. Analytical Chemistry 2009
Journal Article
113 (21), pp. 9230 - 9238 (2009)
Influence of Residual Silanol Groups on Solvent and Ion Distribution at a Chemically Modified Silica Surface. The Journal of Physical Chemistry C Talk (3)
2020
Talk
The Liquid Structure and Dynamics of CO2 Sequestration in Aqueous Alkanolamine Solutions. 4th Indo-German workshop on “Advances in Materials, Reactions & Separation Processes”, Berlin, Germany (2020)
2019
Talk
The Liquid Structure and Dynamics of CO2 Sequestration in Aqueous Alkanolamine Solutions. Bunsentagung 2019 - 118th Genaral Assembly of the German Bunsen Society for Physical Chemistry, Jena, Germany (accepted)
2012
Talk
Adsorption and Diffusion of Water-Acetonitrile Mixtures At a Bare Silica Surface: A Molecular Dynamics Study. 2012 AIChE Annual Meeting, Pittsburgh, PA, USA (2012)
Poster (9)
2019
Poster
Thermodynamic and kinetic properties of novel alkanolamines for CO2 sequestration from molecular dynamics simulations. 55th Symposium Theoretical Chemistry, Rostock, Germany (2019)
2018
Poster
Solvation and mobility of carbon dioxide in Aqueous alkanolamines: a molecular Dynamics study. 54th Symposium in Theoretical Chemistry, Halle, Germany (2018)
2017
Poster
Molecular dynamics study of four aqueous alkanolamines as potential CO2 capture solvents. GCC 2017 - 13th German Conference on Chemoinformatics, Mainz, Germany (2017)
2014
Poster
A molecular dynamics study on the retention mechanism in hydrophilic interaction liquid chromatography. ProcessNet-Jahrestagung und 31. DECHEMA-Jahrestagung der Biotechnologen 2014, Aachen, Germany (2014)
Poster
Influence of surface polarity on structure and mobility of binary solvents studied by molecular dynamics simulations. ProcessNet-Jahrestagung und 31. DECHEMA-Jahrestagung der Biotechnologen 2014, Aachen, Germany (2014)
2011
Poster
Composition and Structure of Water-Acetonitrile Mixtures in a Silica Nanopore Studied by Molecular Dynamics Simulations. HPLC 2011 - 36th International Symposium on High-Performance Liquid Phase Separations and Related Techniques, Budapest, Hungary (2011)