Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Gonçalo V. S. M. Carrera"'
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-10 (2021)
Abstract The intelligent choice of extractants and entrainers can improve current mixture separation techniques allowing better efficiency and sustainability of chemical processes that are both used in industry and laboratory practice. The most promi
Externí odkaz:
https://doaj.org/article/7be5126688334b5d86a8264973eb1014
Autor:
Gonçalo V. S. M. Carrera, Mariana L. Cruz, Kyrylo Klimenko, José M. S. S. Esperança, João Aires‐de‐Sousa
Publikováno v:
Chemphyschem : a European journal of chemical physics and physical chemistry. 23(24)
Machine-learning models were developed to predict the composition profile of a three-compound mixture in liquid-liquid equilibrium (LLE), given the global composition at certain temperature and pressure. A chemoinformatics approach was explored, base
Autor:
João Miguel Inês, José M. S. S. Esperança, João Aires-de-Sousa, Kyrylo Klimenko, Gonçalo V. S. M. Carrera
Publikováno v:
Industrial & Engineering Chemistry Research. 60:8209-8217
Funding Information: We thank Portuguese Foundation for Science and Technology Project: PTDC/EQU-EQU/30060/2017. This work was supported by the Associate Laboratory for Green Chemistry – LAQV which is financed by national funds from FCT/MCTES (UIDB
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Journal of Cheminformatics
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-10 (2021)
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Journal of Cheminformatics
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-10 (2021)
The intelligent choice of extractants and entrainers can improve current mixture separation techniques allowing better efficiency and sustainability of chemical processes that are both used in industry and laboratory practice. The most promising appr
Autor:
José N. Canongia Lopes, Carlos E. S. Bernardes, Gonçalo V. S. M. Carrera, João Miguel Inês, Kyrylo Klimenko, Karina Shimizu
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
IST-ID/100/2018 This work comprises the study of solubilities of gases in ionicliquids (ILs) using a chemoinformatic approach. It is based onthe codification, of the atomic inter-component interactions,cation/gas and anion/gas, which are used to obta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36ed0b4c65c15dbc4f75e067bdbf72f9
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
PTDC/EQU-EQU/30060/2017 UIDB/50006/2020 This work consists on a new chemoinformatic approach based on two complementary artificial intelligence concepts. Random Forest and Kohonen neural network are applied on this context. The former provides a rele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ece57a425f845e0b1d6f9a980cb96eb2
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
The phase behaviour of the system CO2+methanol+glycerol has been studied at low concentrations of this trialcohol. The synthetic method was implemented in a visual sapphire cell. New phase diagrams were obtained at temperatures of 313.15 and 333.15 K
Autor:
Gonçalo V. S. M. Carrera, João Miguel Inês, Kyrylo Klimenko, José M. S. S. Esperança, João Aires-de-Sousa, Luís Paulo N. Rebelo
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
UIDB/50006/2020 The increasing application of new ionic liquids (IL) creates the need of liquid-liquid equilibria data for both miscible and quasi-immiscible systems. In this study, equilibrium concentrations at different temperatures for ionic liqui
Autor:
Manuel Nunes da Ponte, Francisco Manuel Braz Fernandes, Isabel Sousa, Luís C. Branco, Noémi Jordão, Gonçalo V. S. M. Carrera, Anabela Raymundo
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Novel and stable gels of cellulose were produced. These gels are prepared at room temperature by com-bination of cellulose and tetramethylguanidine (TMG) in different ratios (1:1, 1:2, 1:3 in equivalents ofalcohol groups of cellulose per number of mo
Autor:
Luís Paulo N. Rebelo, Isabel M. Marrucho, Gonçalo V. S. M. Carrera, M. Nunes da Ponte, Alexandra Costa, Luís C. Branco, Miguel M. Santos
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Fundacao para a Ciencia e a Tecnologia through project (PEst-C/LA0006/2013). The authors also thank Prof. Madalena Dionisio and Dr Natalia Correia for their support with the DSC analyses. Herein a straightforward approach for the enhancement of the w