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Willing to supervise PhD

The Computational Design of Nanostructured Biomimetic Catalysts

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Adsorption Chemical Compounds
Adsorption isotherms Chemical Compounds
adsorption Physics & Astronomy
Silicon Dioxide Chemical Compounds
Volatile Organic Compounds Chemical Compounds
Silica Engineering & Materials Science
Molecules Chemical Compounds
simulation Physics & Astronomy

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Projects 2018 2018

Research Output 2004 2018

  • 26 Article
  • 4 Conference contribution
Phase behavior
Shale
Hydrocarbons
Nanopores
Rocks

Crystallization processes in bi-component thin film depositions: towards a realistic Kinetic Monte-Carlo simulation

Martínez-Martínez, D., Herdes, C. & Vega, L. F. 15 Jun 2018 In : Surface & Coatings Technology. 343, p. 38-48 11 p.

Research output: Contribution to journalArticle

Crystallization
crystallization
Thin films
Kinetics
kinetics
Open Access
Trinitrotoluene
Complexation
Polymers
Dimethyl sulfoxide
Acids
1 Citations

Group-contribution coarse-grained molecular simulations of polystyrene melts and polystyrene solutions in alkanes using the SAFT-γ force field

Jiménez-Serratos, G., Herdes, C., Haslam, A. J., Jackson, G. & Müller, E. A. 27 Jun 2017 In : Macromolecules. 50, 12, p. 4840-4853 42 p., ma-2016-02072v

Research output: Contribution to journalArticle

Open Access
File
Alkanes
Polystyrenes
Paraffins
Phase behavior
Toluene

Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

Herdes, C., Ervik, Å., Mejía, A. & Müller, E. A. 19 Jun 2017 In : Fluid Phase Equilibria. 7 p.

Research output: Contribution to journalArticle

field theory (physics)
Surface tension
interfacial tension
Oils
oils