6 documents found, page 1 of 1
Impact of pyrolysis heating methods on biochars with enhanced CO2/N2 separation...
Correia, Inês; Ilkaeva, Marina; Castellino, Micaela; Bocchini, Sergio; Novais, Rui M.; Mafra, Luís; Gonçalves, Nuno P. F.; Lourenço, Mirtha A. O.N-doped biochars, derived from chitosan sourced from waste crustaceous shells, were produced via microwave-assisted pyrolysis at temperatures ranging from 400 to 800 °C to enhance CO2 and N2 separation. Their performance was compared with biochars from conventional pyrolysis. Microwave-derived biochars exhibited superior CO2 adsorption capacity at 25 °C and 100 kPa (0.78 – 1.56 mmol g−1) compared to conventiona...
Multiscale computational approaches toward the understanding of materials
Bordonhos, Marta; Galvão, Tiago L. P.; Gomes, José R. B.; Gouveia, José D.; Jorge, Miguel; Lourenço, Mirtha A. O.; Pereira, José M.Herewith, an overview of the group's collaborative research efforts on the development and deployment of computational approaches to understand materials and tools at different length and time scales is presented. The techniques employed range from quantum mechanical approaches based on the density functional theory to classical atomistic and coarse-grained force field methods, targeting molecular systems compo...
Experimental and computational analysis of NOx photocatalytic abatement using c...
Zhiltsova, Tatiana; Martins, Nelson; Silva, Mariana R. F.; Silva, Carla F. da; Lourenço, Mirtha A. O.; Tobaldi, David M.; Covita, DanielIn the present study, two photocatalytic graphene oxide (GO) and carbon nanotubes (CNT) modified TiO2 materials thermally treated at 300 C (T300_GO and T300_CNT, respectively) were tested and revealed their conversion e ciency of nitrogen oxides (NOx) under simulated solar light, showing slightly better results when compared with the commercial Degussa P25 material at the initial concentration ofNOx of 200 ppb....
Effect of the surface functionalization of a waste-derived activated carbon on ...
Jaria, Guilaine; Lourenço, Mirtha A. O.; Silva, Carla Patrícia; Ferreira, Paula; Otero, Marta; Calisto, Vânia; Esteves, Valdemar I.The functionalization of a paper mill sludge-based activated carbon (AC) was addressed in this work for the first time. Four different procedures have been accomplished in order to introduce amine functional groups (AC-NH2 and AC-APTES), thiol functional groups (AC-MPTMS), and a covalent organic polymer (AC-COP) onto the AC surface. The materials were characterized showing that the functionalization was succeed...
Biochemical and histopathological impacts of rutile and anatase (TiO2 forms) in...
Leite, Carla; Coppola, Francesca; Monteiro, Rui; Russo, Tania; Polese, Gianluca; Lourenço, Mirtha A. O.; Ferreira, Paula; Soares, Amadeu M. V. MTitanium dioxide (TiO2) particles have been widely used in various industrial applications and consumer products. Due to their large production and use, they will eventually enter into aquatic environments. Once in the aquatic environment TiO2 particles may interact with the organisms and induce toxic effects. Since the most common crystallographic forms of TiO2 are rutile and anatase, the present study evaluat...
Chiral Copper(II) bis(oxazoline) complexes directly coordinated to amine-functi...
Carneiro, Liliana; Silva, Ana Rosa; Lourenço, Mirtha A. O.; Mayoral, Alvaro; Diaz, Isabel; Ferreira, PaulaCopper(II) complexes with commercial chiral bis(oxazoline)s were for the first time directly coordinated onto amine-modified mesoporous phenylene and biphenylene silicas. All final materials maintained the 2D ordered mesoporous structure. The copper metal coordinates directly to the amine groups within the walls of the materials. The materials were tested as asymmetric heterogeneous catalysts in the kinetic res...