Ongoing Supervisions
Projects
Publications
What is better to enhance the solubility of hydrophobic compounds in aqueous solutions: eutectic solvents or ionic liquids?
Ferreira, O; Silva, LP; Almeida, HHS; Benfica, J; Abranches, DO; Pinho, SP; Coutinho, JAP
2024, RSC SUSTAINABILITY, 2, 12, 4052-4060.
ISBN:
2753-8125
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Assessing Melting and Solid-Solid Transition Properties of Choline Chloride via Molecular Dynamics Simulations
Correa, GB; Abranches, DO; Marin-Rimoldi, E; Zhang, Y; Maginn, EJ; Tavares, FW
2024, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 15, 47, 11801-11805.
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The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert-butanol plus perfluoro tert-butanol
Vaz, ICM; Ferreira, AIMCL; Silva, GMC; Morgado, P; Abranches, DO; Bastos, M; Santos, LMNBF; Filipe, EJM; Coutinho, JAP
2023, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25, 16, 11227-11236.
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Estimating the Melting Temperatures of Type V Deep Eutectic Solvents
Teixeira, G; Abranches, DO; Ferreira, O; Coutinho, JAP
2023, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 62, 36, 14638-14647.
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Solubility Enhancement of Hydrophobic Compounds in Aqueous Solutions Using Biobased Solvents as Hydrotropes
Silva, SS; Abranches, DO; Pinto, AS; Soares, BP; Passos, H; Ferreira, AM; Coutinho, JAP
2023, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 62, 30, 12021-12028.
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Modeling the Solubility of Monoterpenoids with Hybrid and Predictive Thermodynamic Tools
Vilas-Boas, SM; Cordova, IW; Abranches, DO; Coutinho, JAP; Ferreira, O; Pinho, SP
2023, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 62, 12, 5326-5335.
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New family of Type V eutectic solvents based on 1,10-phenanthroline and their application in metal extraction
Crema, APS; Schaeffer, N; Bastos, H; Silva, LP; Abranches, DO; Passos, H; Hespanhol, MC; Coutinho, JAP
2023, HYDROMETALLURGY, 215.
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Everything You Wanted to Know about Deep Eutectic Solvents but Were Afraid to Be Told
Abranches, DO; Coutinho, JAP
2023, ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, 14, 141-163.
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Activity coefficient acquisition with thermodynamics-informed active learning for phase diagram construction
Abranches, DO; Maginn, EJ; Colón, YJ
2023, AICHE JOURNAL, 69, 8.
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Boosting Graph Neural Networks with Molecular Mechanics: A Case Study of Sigma Profile Prediction
Abranches, DO; Maginn, EJ; Colón, YJ
2023, Journal of Chemical Theory and Computation, 19, 24.
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Thermodynamics-Informed Machine Learning for the Design of Sustainable Materials: The Dawn of Digital Molecular Discovery
Abranches, DO
2024, supervised by Maginn, EJ; Colón, YJ.
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Unveiling the Mechanism of Hydrotropy: Towards a Sustainable Future
Abranches, DO
2020, supervised by Coutinho, JAP; Shimizu, S.
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