Gabriele Raabe at Institute of Thermodynamics Technische Universität Braunschweig Braunschweig Germany - Research Interests, Publications & Academic Profile

Gabriele Raabe

University Name

Germany

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Research Interests

Physical Chemistry

40%

Materials Chemistry

20%

Molecular Physics

50%

Ligand Field Theory

30%

Interfacial Science

20%

Fluorine Chemistry

20%

Force Field

20%

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Recent Grants

Grant: Open

Prediction and surrogate modelling of thermodynamics properties of mixtures with application to the inverse design under uncertainty

Open Date: 2023-07-01

Close Date: 2026-06-01

Grant: Close

Design and (nano)engineering of PEMFC cathode catalyst layers to boost the efficiency and life time under aviation conditions

Open Date: 2023-01-01

Close Date: 2025-12-01

Grant: Close

Fundamentals of ElectroFuel Synthesis for Aviation

Open Date: 2019-04-01

Close Date: 2022-12-01

Grant: Close

Analysis of molecular influence factors on the properties of refrigerant-lubricant mixtures

Open Date: 2019-01-01

Close Date:

Grant: Close

Systematic extension of a force field for fluorinated propenes to HCFO and longer-chained HFO compounds, and its application for studies on new working fluids

Open Date: 2016-01-01

Close Date: 2022-12-31

Articles9

Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process

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Year:

2023

Molecular dynamics studies of the solubility behavior of carbon dioxide (<scp>CO<sub>2</sub></scp>), difluoromethane (R‐32), 1‐chloro‐3,3,3‐trifluoropropene (R‐1233zd(E)) and 2,3,3,3‐tetrafluoro‐1‐propene (R‐1234yf) in pentaerythritol tetra(2‐ethylhexanoate) (<scp>PEB8</scp>), pentaerythritol tetrabutyrate (<scp>PEC4</scp>) and pentaerythritol tetraoctanoate (<scp>PEC8</scp>)

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Year:

2023

Comparison of the GAFF, OPLSAA and CHARMM27 force field for the reproduction of the thermodynamics properties of furfural, 2-methylfuran, 2,5-dimethylfuran and 5-hydroxymethylfurfural

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Year:

2022

Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces

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Year:

2020

Purely Predictive Vapor–Liquid Equilibrium Properties of 3,3,4,4,4-Pentafluoro-1-butene (HFO-1345fz), 2,3,3,4,4,4-Hexafluoro-1-butene (HFO-1336yf), and trans-1-Chloro-2,3,3,3-tetrafluoropropene (HCFO-1224yd(E)) from Molecular Simulation

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Year:

2020

GAFF/IPolQ-Mod+LJ-Fit: Optimized force field parameters for solvation free energy predictions

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Year:

2020

Parameterization Approach for a Systematic Extension of the Hydrofluoroolefin Force Field to Fluorinated Butenes and Hydrochlorofluoroolefin Compounds

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Year:

2020

Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies

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Year:

2020

Dielectric properties of binary hydrofluoroolefin refrigerant mixtures: Comparisons of new experimental data with molecular dynamics simulations

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Year:

2020

Collaborators1

Uwe Schröder

Professor / Director

University of Greifswald

GERMANY