Charlles Abreu

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Frederico Wanderley TavaresVerified email at eq.ufrj.br
Edward MaginnChemical Engineering, University of Notre DameVerified email at nd.edu
Marcelo CastierTexas A&M University at QatarVerified email at qatar.tamu.edu
Cassiano AimoliPetrobrasVerified email at petrobras.com.br
Fernando A. EscobedoProfessor of Chemical Engineering, Cornell UniversityVerified email at cornell.edu
Antonio J. A. MeirellesProfessor of Food Engineering, UNICAMPVerified email at fea.unicamp.br
Marcela Cravo FerreiraUNICAMPVerified email at fea.unicamp.br
Larissa Castello Branco Almeida BessaEscola Politécnica, Departamento de Engenharia Química, Universidade de São PauloVerified email at usp.br
Eduardo Augusto Caldas BatistaProfessor de Engenharia de Alimentos, Universidade Estadual de CampinasVerified email at fea.unicamp.br
Ana SilveiraPostdoc, Chodera Lab, Sloan Kettering InstituteVerified email at choderalab.org
Mark E TuckermanNew York UniversityVerified email at nyu.edu
Bruno A. C. HortaProfessor do Instituto de Química, Universidade Federal do Rio de JaneiroVerified email at iq.ufrj.br
Thiago José Pinheiro dos SantosRice UniversityVerified email at rice.edu
Filipe Arantes FurtadoProfessor de Engenharia Química, Universidade Federal Rural do Rio de JaneiroVerified email at ufrrj.br
Tiago Lemos, D.Sc.Process Engineer, PetrobrasVerified email at petrobras.com.br
Guilherme da SilvaPostdoctoral researcher at UNITSVerified email at pos.iq.ufrj.br
Selva PeredaPlanta Piloto de Ingeniería Química (PLAPIQUI - UNS - CONICET)Verified email at plapiqui.edu.ar
Isabela Quintela MatosCornell UniversityVerified email at cornell.edu
Pedro de Alcantara Pessoa FilhoUniversity of Sao PauloVerified email at poli.usp.br
Gabriella PérezInstituto Federal de Educação, Ciência e Tecnologia do Rio de JaneiroVerified email at ifrj.edu.br

Charlles Abreu

Associate Professor of Chemical Engineering, Federal University of Rio de Janeiro

Verified email at eq.ufrj.br - Homepage

Molecular Simulation Statistical Mechanics Thermodynamics Chemical Engineering


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Influence of particle shape on the packing and on the segregation of spherocylinders via Monte Carlo simulations CRA Abreu, FW Tavares, M Castier Powder Technology 134 (1-2), 167-180, 2003	226	2003
Transport properties of carbon dioxide and methane from molecular dynamics simulations CG Aimoli, EJ Maginn, CRA Abreu The Journal of chemical physics 141 (13), 2014	126	2014
Force field comparison and thermodynamic property calculation of supercritical CO2 and CH4 using molecular dynamics simulations CG Aimoli, EJ Maginn, CRA Abreu Fluid Phase Equilibria 368, 80-90, 2014	109	2014
Boundary layer flows with Dufour and Soret effects: I: Forced and natural convection CRA Abreu, MF Alfradique, AS Telles Chemical Engineering Science 61 (13), 4282-4289, 2006	79	2006
Thermodynamic properties of supercritical mixtures of carbon dioxide and methane: a molecular simulation study CG Aimoli, EJ Maginn, CRA Abreu Journal of Chemical & Engineering Data 59 (10), 3041-3054, 2014	48	2014
Liquid–liquid equilibrium of fatty systems: A new approach for adjusting UNIFAC interaction parameters GF Hirata, CRA Abreu, LCBA Bessa, MC Ferreira, EAC Batista, ... Fluid phase equilibria 360, 379-391, 2013	43	2013
A general framework for non-Boltzmann Monte Carlo sampling CRA Abreu, FA Escobedo The Journal of chemical physics 124 (5), 2006	43	2006
On the use of transition matrix methods with extended ensembles FA Escobedo, CRA Abreu The Journal of chemical physics 124 (10), 2006	39	2006
A new UNIFAC parameterization for the prediction of liquid-liquid equilibrium of biodiesel systems LCBA Bessa, MC Ferreira, CRA Abreu, EAC Batista, AJA Meirelles Fluid Phase Equilibria 425, 98-107, 2016	34	2016
A Monte Carlo simulation of the packing and segregation of spheres in cylinders CRA Abreu, R Macias-Salinas, FW Tavares, M Castier Brazilian Journal of Chemical Engineering 16, 395-405, 1999	30	1999
Monte Carlo simulations of the adsorption of chainlike molecules on two-dimensional heterogeneous surfaces VF Cabral, CRA Abreu, M Castier, FW Tavares Langmuir 19 (4), 1429-1438, 2003	22	2003
Solvent effects on the decarboxylation of trichloroacetic acid: insights from ab initio molecular dynamics simulations GCQ da Silva, TM Cardozo, GW Amarante, CRA Abreu, BAC Horta Physical Chemistry Chemical Physics 20 (34), 21988-21998, 2018	20	2018
Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields TJP dos Santos, CRA Abreu, BAC Horta, FW Tavares The Journal of Supercritical Fluids 155, 104639, 2020	16	2020
A novel configurational-bias Monte Carlo method for lattice polymers: application to molecules with multicyclic architectures CRA Abreu, FA Escobedo Macromolecules 38 (20), 8532-8545, 2005	16	2005
Openmm 8: Molecular dynamics simulation with machine learning potentials P Eastman, R Galvelis, RP Peláez, CRA Abreu, SE Farr, E Gallicchio, ... The Journal of Physical Chemistry B 128 (1), 109-116, 2023	13	2023
A molecular dynamics study of the solvation of carbon dioxide and other compounds in the ionic liquids [emim][B (CN) 4] and [emim][NTf2] AJ Silveira, S Pereda, FW Tavares, CRA Abreu Fluid Phase Equilibria 491, 1-11, 2019	13	2019
Non-equilibrium molecular dynamics used to obtain Soret coefficients of binary hydrocarbon mixtures FA Furtado, AJ Silveira, CRA Abreu, FW Tavares Brazilian Journal of Chemical Engineering 32, 683-698, 2015	12	2015
Liquid-liquid equilibrium of systems containing triolein+(fatty acid/partial acylglycerols/ester)+ ethanol: experimental data and UNIFAC modeling MC Ferreira, LCBA Bessa, CRA Abreu, AJA Meirelles, EAC Batista Fluid Phase Equilibria 476, 186-192, 2018	11	2018
Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water AJ Silveira, CRA Abreu The Journal of Chemical Physics 147 (12), 2017	11	2017
Evaluation of the SAFT-γ Mie force field with solvation free energy calculations IQ Matos, CRA Abreu Fluid Phase Equilibria 484, 88-97, 2019	9	2019

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