Carmelo Herdes
Carmelo Herdes
Lecturer Chemical Engineering, University of Bath
Correu electrònic verificat a bath.ac.uk
TítolCitada perAny
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
912006
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
802014
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
602015
Computer simulation of volatile organic compound adsorption in atomistic models of molecularly imprinted polymers
C Herdes, L Sarkisov
Langmuir 25 (9), 5352-5359, 2009
532009
On the calculation of solid-fluid contact angles from molecular dynamics
E Santiso, C Herdes, E Müller
Entropy 15 (9), 3734-3745, 2013
512013
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
322015
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
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
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
172017
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
172017
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
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
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
92018
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
92018
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
92016
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
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
92004
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
En aquests moments el sistema no pot dur a terme l'operació. Torneu-ho a provar més tard.
Articles 1–20