Carmelo Herdes
Carmelo Herdes
Lecturer Chemical Engineering, University of Bath
Verified email at bath.ac.uk
Title
Cited by
Cited by
Year
Mesoscopic simulation of aggregation of asphaltene and resin molecules in crude oils
B Aguilera-Mercado, C Herdes, J Murgich, EA Müller
Energy & Fuels 20 (1), 327-338, 2006
932006
Force fields for coarse-grained molecular simulations from a corresponding states correlation
A Mejía, C Herdes, EA Müller
Industrial & Engineering Chemistry Research 53 (10), 4131-4141, 2014
892014
Coarse grained force field for the molecular simulation of natural gases and condensates
C Herdes, TS Totton, EA Müller
Fluid Phase Equilibria 406, 91-100, 2015
672015
On the calculation of solid-fluid contact angles from molecular dynamics
EE Santiso, C Herdes, EA Müller
Entropy 15 (9), 3734-3745, 2013
552013
Computer simulation of volatile organic compound adsorption in atomistic models of molecularly imprinted polymers
C Herdes, L Sarkisov
Langmuir 25 (9), 5352-5359, 2009
542009
Modelling the interfacial behaviour of dilute light-switching surfactant solutions
C Herdes, EE Santiso, C James, J Eastoe, EA Müller
Journal of colloid and interface science 445, 16-23, 2015
342015
Selective adsorption of volatile organic compounds in micropore aluminum methylphosphonate-α: a combined molecular simulation− experimental approach
C Herdes, A Valente, Z Lin, J Rocha, JAP Coutinho, F Medina, LF Vega
Langmuir 23 (13), 7299-7305, 2007
242007
Pore size distribution analysis of selected hexagonal mesoporous silicas by grand canonical Monte Carlo simulations
C Herdes, MA Santos, F Medina, LF Vega
Langmuir 21 (19), 8733-8742, 2005
222005
Unusual flexibility of mesophase pitch-derived carbon materials: An approach to the synthesis of graphene
D Barreda, AM Pérez-Mas, A Silvestre-Albero, ME Casco, S Rudić, ...
Carbon 115, 539-545, 2017
202017
Group contribution coarse-grained molecular simulations of polystyrene melts and polystyrene solutions in alkanes using the SAFT-γ force field
G Jiménez-Serratos, C Herdes, AJ Haslam, G Jackson, EA Müller
Macromolecules 50 (12), 4840-4853, 2017
192017
New insights into the adsorption isotherm interpretation by a coupled molecular simulation—experimental procedure
MJ Sánchez-Montero, C Herdes, F Salvador, LF Vega
Applied surface science 252 (3), 519-528, 2005
182005
Molecular recognition effects in atomistic models of imprinted polymers
E Dourado, C Herdes, PRV Tassel, L Sarkisov
International journal of molecular sciences 12 (8), 4781-4804, 2011
172011
Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field
C Herdes, Å Ervik, A Mejía, EA Müller
Fluid Phase Equilibria 476, 9-15, 2018
142018
Nitrogen and water adsorption in aluminum methylphosphonate α: a molecular simulation study
C Herdes, Z Lin, A Valente, JAP Coutinho, LF Vega
Langmuir 22 (7), 3097-3104, 2006
132006
Combined experimental, theoretical, and molecular simulation approach for the description of the fluid-phase behavior of hydrocarbon mixtures within shale rocks
C Herdes, C Petit, A Mejía, EA Müller
Energy & fuels 32 (5), 5750-5762, 2018
122018
Predicting the adsorption of n-perfluorohexane in BAM-P109 standard activated carbon by molecular simulation using SAFT-γ Mie coarse-grained force fields
C Herdes, E Forte, G Jackson, EA Müller
Adsorption Science & Technology 34 (1), 64-78, 2016
102016
Search for a reliable methodology for PSD determination based on a combined molecular simulation–regularization–experimental approach: The case of PHTS materials
C Herdes, MA Santos, S Abelló, F Medina, LF Vega
Applied surface science 252 (3), 538-547, 2005
92005
A multiscale method for simulating fluid interfaces covered with large molecules such as asphaltenes
Å Ervik, MO Lysgaard, C Herdes, G Jiménez-Serratos, EA Müller, ...
Journal of Computational Physics 327, 576-611, 2016
82016
Predicting neopentane isosteric enthalpy of adsorption at zero coverage in MCM-41
C Herdes, CA Ferreiro-Rangel, T Düren
Langmuir 27 (11), 6738-6743, 2011
82011
Thermodynamic properties and aggregate formation of surfactant-like molecules from theory and simulation
C Herdes, JC Pàmies, RM Marcos, LF Vega
The Journal of chemical physics 120 (20), 9822-9830, 2004
82004
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Articles 1–20