Projects per year
Personal profile
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 2020
IAA3 - Centre for Advanced Separations Engineering Industrial Engagement/Networking Event
Perera, S., Bird, M., Castro Dominguez, B., Chew, Y., Duren, T., Eslava Fernandez, S., Herdes Moreno, C., Lennox, M., Mattia, D. & Mays, T.
2/01/18 → 31/03/20
Project: Research council
Soumaya-inspired catalytic membranes for H2 production
Castro Dominguez, B. & Herdes Moreno, C.
Project: Research-related funding
Research Output 2004 2018
3
Citations
Combined experimental, theoretical and molecular simulation approach for the description of the fluid phase behavior of hydrocarbon mixtures within shale rocks
Herdes, C., Petit, C., Mejía, A. & Müller, E. A. 17 May 2018 In : Energy & Fuels. 32, 5, p. 5750-5762Research output: Contribution to journal › Article
Open Access
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 journal › Article
Crystallization
crystallization
Thin films
Kinetics
kinetics
The Porogen Effect on the Complexation Step of Trinitrotoluene-Methacrylic Acid: Towards Efficient Imprinted Polymer Sensors
Bird, L. & Herdes, C. 28 Feb 2018 In : Molecular Systems Design & Engineering. 3, 1, p. 89-95 9 p.Research output: Contribution to journal › Article
Open Access
Trinitrotoluene
Complexation
Polymers
Dimethyl sulfoxide
Acids
Towards sustainable micro-pollutants’ removal from wastewaters: caffeine solubility, self-diffusion and adsorption studies from aqueous solutions into hydrochars
Román, S., Ledesma, B., Álvarez, A. & Herdes, C. 18 Aug 2018 In : Molecular Physics. 116, 15-16, p. 2129-2141 13 p.Research output: Contribution to journal › Article
caffeine
Waste Water
Caffeine
Solubility
Adsorption
3
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-2016-02072vResearch output: Contribution to journal › Article
Open Access
File
Alkanes
Polystyrenes
Paraffins
Phase behavior
Toluene