Encontrados 13 documentos, a visualizar página 1 de 2
Estruturas Metalo-Orgânicas (MOFs) e Polímeros de Coordenação (PCs) no Institut...
Kirillov, Alexander M.; Fernandes, Tiago; Pinto, Rosana V.; Bordonhos, Marta; Mohtar, Abeer; Pinto, Moisés L.Este artigo destaca mais de uma década de investigação no Instituto Superior Técnico (IST, ULisboa), conduzida pelos grupos de Moisés L. Pinto (CERENA) e Alexander Kirillov (CQE), com foco no design personalizado de estruturas metalo-orgânicas (MOFs) e polímeros de coordenação (PCs). Os materiais desenvolvidos revelam um enorme potencial na separação de gases, purificação do ar e em aplicações biomédicas, inclu...
N-doped sponge-like biochar: a promising CO2 sorbent for CO₂/CH₄ and CO2/N₂ gas...
Lourenço, Mirtha A.O.; Frade, Tânia; Bordonhos, Marta; Castellino, Micaela; Pinto, Moisés L.; Bocchini, SergioSponge-like biochar sorbents were prepared from the dissolution of chitosan followed by freeze-drying methodology and pyrolysis at three different temperatures (400, 600, and 800 °C) to produce sustainable N-enriched carbon materials with enhanced CO2 uptake from CO2/CH4 and CO2/N2 gas mixtures. The pyrolysis process was reproduced by operando TGA-IR to study the gas evolved from the pyrolysis process. It was f...
Moisture effect on the separation of CO2/CH4 mixtures with amine-functionalised...
Pacheco, Marlene; Bordonhos, Marta; Sardo, Mariana; Afonso, Rui; R. B. Gomes, José; Mafra, Luís; Pinto, Moisés L.The effect of minor amounts of water on the CO2 and CH4 adsorption on primary and secondary amine-functionalised mesoporous silicas (APTES@SBA-15 and DEAPTES@SBA15, respectively) was studied with a combination of high-pressure gas adsorption, solid state NMR of labelled 13CO2 and density functional theory (DFT) calculations. Known amounts of water were pre-adsorbed on the materials (0.047 to 0.157 mmol∙g−1) and...
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...
Unravelling moisture-induced CO2 chemisorption mechanisms in amine-modified sor...
Sardo, Mariana; Afonso, Rui; Juźków, Joanna; Pacheco, Marlene; Bordonhos, Marta; Pinto, Moisés L.; Gomes, José R. B.; Mafra, LuísThis work entails a comprehensive solid-state NMR and computational study of the influence of water and CO2 partial pressures on the CO2-adducts formed in amine-grafted silica sorbents. Our approach provides atomic level insights on hypothesised mechanisms for CO2 capture under dry and wet conditions in a tightly controlled atmosphere. The method used for sample preparation avoids the use of liquid water slurri...
Exploring periodic mesoporous organosilicas for ethane–ethylene adsorption–sepa...
Bordonhos, Marta; Lourenço, Mirtha; Gomes, José R. B.; Ferreira, Paula; Pinto, Moisés L.Ethylene is a core building block in the chemical industry and its separation from ethane is very challenging due to high energy requirements. Adsorption-based processes can be an alternative to current processes based on cryogenic distillation. In this work, we explore for the first time the application of periodic mesoporous organosilica (PMO) materials, whose surface properties can be tuned with different fu...
New generation of nitric oxide-releasing porous materials: assessment of their ...
Pinto, Rosana V.; Fernandes, Ana C.; Antunes, Fernando; Lin, Zhi; Rocha, João; Pires, João; Pinto, Moisés L.Nitric oxide (NO) presents innumerable biological roles, and its exogenous supplementation for therapeutic purposes has become a necessity. Some nanoporous materials proved to be potential vehicles for NO with high storage capacity. However, there is still a lack of information about their efficiency to release controlled NO and if they are biocompatible and biologically stable. In this work, we address this kn...
Pyrolyzed chitosan-based materials for CO2/CH4 separation
Lourenço, Mirtha A.O.; Nunes, Cláudia; Gomes, José R.B.; Pires, João; Pinto, Moisés L.; Ferreira, PaulaChitosan is a biopolymer obtained by deacetylation of chitin extracted from sub-products of the food industry and it is rich in nitrogen content. Pyrolyzed chitosan– and chitosan-periodic mesoporous organosilica (PMO)– based porous materials with different pore structures and chemical features are prepared using different dry methods and ensuing pyrolysis at 800 °C, for application in the CO2/CH4 adsorption/sep...
The influence of the textural properties of activated carbons on acetaminophen ...
Galhetas, M.; Andrade, Marta A.; Mestre, A. S.; Kangni-foli, Ekoé; Brito, Maria J. Villa de; Pinto, Moisés L.; Lopes, Helena; Carvalho, A. P.The influence of temperature (20–40 °C) on the acetaminophen adsorption onto activated carbons with different textures was studied. Different temperature dependences, not explained by kinetic effects, were observed for carbons with different micropore size distribution patterns: adsorption capacity increased for pine gasification residues (Pi-fa) derived carbons and decreased for sisal based materials. No signi...
Carbon-based materials prepared from pine gasification residues for acetaminoph...
Galhetas, M.; Mestre, A. S.; Pinto, Moisés L.; Gulyurtlu, Ibrahim; Lopes, Helena; Carvalho, A. P.Fly ash, a residue produced frompine gasification,was used as precursor of carbon-basedmaterials assayed in acetaminophen adsorption. Materials prepared by activation with K2CO3, presented high porosity development (ABET 1200m2 g1) and samples calcined at 900 C presented high volumes of large micropores and mesopores. Kinetic and equilibrium acetaminophen adsorption data showed that the process obeys to the pse...