Projetos Ativos
Publicações do projeto
| proj720 | Universidade Estadual de Campinas | Faculdade de Engenharia Quimica |
|---|---|---|
| Calculo de propriedades de transporte de fluidos confinados via dinamica molecular. | ||
| Publicações | Mestrado | Doutorado |
| 25 | 7 | 3 |
| Publicação The Journal of Chemical Physics. |
Data, Vol/Fasc/Pag v. 161, n. 4, p. 044508, 2024. |
| Título Electrokinetic properties of NaCl solution via molecular dynamics simulations with scaled-charge electrolytes. | |
| Autores COELHO, Felipe M.; Vinogradov, Jan; Derksen, Jos J.; Franco, Luis F. M. | |
| Publicação The Journal of Physical Chemistry B. |
Data, Vol/Fasc/Pag v. 128, n. 47, p. 11759-11767, 2024. |
| Título The Interplay between Dynamics and Salinity Effect. | |
| Autores COELHO, Felipe M.; Franco, Luis F. M; | |
| Publicação Industrial and Engineering Chemistry Research. |
Data, Vol/Fasc/Pag v. 64, n. 16, p. 8492-8505, 2025. |
| Título Phase Equilibria of CO2-Water and CO2-Brine at High Temperature: from Monte Carlo Simulations tothe Equation of State. | |
| Autores COELHO, Felipe M.; Franco, Luis F. M.; Firoozabadi, Abbas. | |
| Publicação Water, Air an Soil Pollution. |
Data, Vol/Fasc/Pag v. 235, p. 417, 2024. |
| Título Adsorption of Ciprofloxacin on Graphene Oxide-Based Adsorbents: Synthesis, Characterization and DFT Calculations. | |
| Autores SANCHEZ, S. N. B. et al. | |
| Publicação The Journal of Physical Chemistry B. |
Data, Vol/Fasc/Pag 2023, v. 127, pp. 2749-2760. |
| Título Thermodiffusion of CO2 in Water by Nonequilibrium Molecular Dynamics Simulations. | |
| Autores Felipe M. Coelho, Luís F. M. Franco, and Abbas Firoozabadi. | |
| Publicação ACS Sustainable Chemistry and Engineering. |
Data, Vol/Fasc/Pag 2023, v. 54, p. 103963. |
| Título Magnetic biobased rigid foam as a potential adsorbent to remove herbicides from contaminated waters. | |
| Autores Wardleison M. Moreira et al. | |
| Publicação Environmental Science and Pollution Research. |
Data, Vol/Fasc/Pag 2024, v. 31, p. 26942-26960. |
| Título Pirarucu hydroxyapatite app.ternary competitive adsorp. synth. basic dyes as contaminants of emerging concern:kinetic,equilibrium,and ANN studies. | |
| Autores Emanuele Dutra Valente Duarte et al. | |
| Publicação Journal of Cleaner Production. |
Data, Vol/Fasc/Pag 2024, v. 447, p. 141458. |
| Título Comparative efficiency of conventional and green functionalized carbon-based materials for the uptake of priority produced water contaminants. | |
| Autores Marina Barbosa de Farias et al. | |
| Publicação Environmental Toxicology and Pharmacology. |
Data, Vol/Fasc/Pag vol 99, april 2023, 104105. |
| Título Comparative effect of mesoporous carbon doping on the adsorption of pharmaceutical drugs in water: Theoretical calculations and mechanism study. | |
| Autores Natalia Gabriele Camparotto et al. | |
| Publicação Fuel. |
Data, Vol/Fasc/Pag vol 325, 1 october 2022, 124800. |
| Título Diffusion of fluids confined in carbonate minerals:A molecular dynamics simulation study for carbon dioxide and methane-ethane mixture within calcite. | |
| Autores Marcelle B.M. Spera, Flavia N. Braga, Rodrigo A.C. Bartolomeu, Ioannis G. Economou,Luis F.M. Franco. | |
| Publicação The Journal of Physical Chemistry B. |
Data, Vol/Fasc/Pag 2023, 127, 12, 2749-2760. |
| Título Thermodiffusion of CO2 in Water by Nonequilibrium Molecular Dynamics Simulations. | |
| Autores Felipe M. Coelho, Luis F. M. Franco, and Abbas Firoozabadi. | |
| Publicação Environmental Research. |
Data, Vol/Fasc/Pag Volume 225, 15 May 2023, 115507. |
| Título Green synth., charac., and appl. of Fe3O4 nanoparticles for methylene blue removal: RSM optim., kinetic, isothermal studies, and molecular simulation. | |
| Autores Amin Mohammadpour et al. | |
| Publicação Environmental Science and Pollution Research. |
Data, Vol/Fasc/Pag 22 march 2023. |
| Título Amazon raw clay as a precursor of a clay-based adsorbent: experimental study and DFT analysis for the adsorption of Basic Yellow 2 dye. | |
| Autores Emanuele D. V. Duarte et al. | |
| Publicação Journal of Cleaner Production. |
Data, Vol/Fasc/Pag Volume 373, 1 November 2022, 133961. |
| Título Green-functionalized carbon nanotubes as adsorbents for the removal of emerging contaminants from aqueous media. | |
| Autores Marcela P. Spaolonzi et al. | |
| Publicação Journal of Molecular Liquids. |
Data, Vol/Fasc/Pag Online 9 may 2023, 122045. |
| Título Syn. Eff. on the Ads. Cationic and Anionic Emerging Contam. on Polymeric Membranes Containing Modified-Graphene Oxide: Study of mech. in bin. syst. | |
| Autores Tauany de Figueiredo Neves et al. | |
| Publicação Environmental Science and Pollution Research - Springe Nature. |
Data, Vol/Fasc/Pag 2022, v. 29, p. 31646-31658. |
| Título Adsorption of antibiotic cefazolin in organoclay fixed-bed column: characterization, mathematical modeling and DFT-based calculations. | |
| Autores Marcela P Spaolonzi, Meuris Gurgel Carlos da Silva, Melissa Gurgel Adeodato Vieira. | |
| Publicação Sustainable Materials and Technologies - Elsevier. |
Data, Vol/Fasc/Pag Abril 2022, v. 31, p. e00391. |
| Título Ternary adsorp. of Auramine-O,Rhodamine 6G and Brilliant Green onto Arapaima gigas scales hydroxyapatite:Ads. mech.invest. using CCD and DFT studies. | |
| Autores Emanuele D. V. Duarte et al. | |
| Publicação Journal of Environmental Chemical Engineering - Elsevier. |
Data, Vol/Fasc/Pag Fevereiro 2021, v. 9, n. 1, p. 104891. |
| Título Caffeine removal using activated biochar from acai seed (Euterpe oleracea Mart):exp. study and descr. adsorbate prop. using Density Functional Theory. | |
| Autores Arthur da Silva Vasconcelos de Almeida et al. | |
| Publicação Journal of Environmental Chemical Engineering - Elsevier. |
Data, Vol/Fasc/Pag Abril 2021, v. 9, n. 2, p. 105155. |
| Título Activated carbon from macauba endocarp (Acrocomia aculeate) for removal of atrazine:exp. and theoretical investigation using descriptors based on DFT. | |
| Autores Wedja Timoteo Vieira et al. | |
| Publicação Industrial and Engineering Chemistry Research - ACS. |
Data, Vol/Fasc/Pag Mar-2021, v. 60, p. 4030-4040. |
| Título Fixed-Bed Adsorption of Ciprofloxacin onto Bentonite Clay: Characterization, Mathematical Modeling, and DFT-Based Calculations. | |
| Autores Raissa Antonelli,Geoffroy Roger P. Malpass, Meuris Gurgel Carlos da Silva, Melissa Gurgel A. Vieira. | |
| Publicação Journal of Molecular Liquids - Elsevier. |
Data, Vol/Fasc/Pag Setembro 2021, v. 337, p. 116442. |
| Título Adsorption of propranolol hydrochloride from aqueous solutions onto thermally treated bentonite clay: A complete batch system evaluation. | |
| Autores Deborah Cristina do Nascimento, Meuris Gurgel Carlos da Silva, Melissa Gurgel Adeodato Vieira. | |
| Publicação Journal of Environmental Chemical Engineering - Elsevier. |
Data, Vol/Fasc/Pag Outubro 2021, v. 9, n. 5, p. 106103. |
| Título Fixed-bed adsorption of bisphenol A onto organoclay: Characterization, mathem. modelling and theor. calculation of DFT-based chemical descriptors. | |
| Autores Marina Barbosa de Farias, Marcela P. Spaolonzi, Meuris Gurgel C. da Silva, Melissa Gurgel A. Vieira. | |
| Publicação International Journal of Hydrogen Energy |
Data, Vol/Fasc/Pag In Press - Available online 17 May 2020 |
| Título Thermophysical properties of supercritical from Molecular Dynamics simulations | |
| Autores Rodrigo A.C. Bartolomeu, Luis F.M. Franco | |
| Publicação Journal of Molecular Liquids |
Data, Vol/Fasc/Pag In Press - Available online 23 May 2020 |
| Título Comparative adsorption of diclofenac sodium and losartan potassium in organophilic clay-packed fixed-bed: X-ray photoelectron spectroscopy... | |
| Autores ANDRADE et al. | |
| Publicação Fluid Phase Equilibria/Elsevier |
Data, Vol/Fasc/Pag 2019/v. 496, p. 61-68 |
| Título A model to predict adsorption of mixtures coupled with SAFT-VR Mie Equation of state | |
| Autores Isa Silveira de Araújo e Luís Fernando Mercier Franco | |