Frederico Wanderley Tavares

Dr. Frederico Wanderley Tavares


Research Focus & Metrics

Academic Career Length

29Years (1998-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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23 November 2020 in Chemical Reviews
Verified
Journal Article
Closed access
FMFernando de Azevedo Medeiros
Fernando de Azevedo Medeiros
ISIuri Soter Viana Segtovich
Iuri Soter Viana Segtovich
Frederico Wanderley TavaresFrederico Wanderley Tavares
Frederico Wanderley Tavares
Amadeu SumAmadeu Sum
Amadeu Sum

13 May 2024 in ACS Sustainable Chemistry & Engineering
Verified
Journal Article
Open access
LALuan Vittor Tavares Duarte de Alencar
Luan Vittor Tavares Duarte de Alencar
SRSabrina Belén Rodríguez-Reartes
Sabrina Belén Rodríguez-Reartes
Frederico Wanderley TavaresFrederico Wanderley Tavares
Frederico Wanderley Tavares
FLFelix Llovell
Felix Llovell
Deep eutectic solvents (DESs) are gaining recognition as environmentally friendly solvent alternatives for diverse chemical processes. Yet, designing DESs tailored to specific applications is a resource-intensive task, which requires an accurate estimation of their physicochemical properties. Among them, viscosity is crucial, as it often dictates a DES's suitability as a solvent. In this study, an artificial neural network (ANN) is introduced to accurately describe the viscosity of DESs and their mixtures with cosolvents. The ANN utilizes molecular parameters derived from σ-profiles, computed using the conductor-like screening model for the real solvent segment activity coefficient (COSMO-SAC). The data set comprises 1891 experimental viscosity measurements for 48 DESs based on choline chloride, encompassing 279 different compositions, along with 1618 data points of DES mixtures with cosolvents as water, methanol, isopropanol, and dimethyl sulfoxide, covering a wide range of viscosity measurements from 0.3862 to 4722 mPa s. The optimal ANN structure for describing the logarithmic viscosity of DESs is configured as 9-19-16-1, achieving an overall average absolute relative deviation of 1.6031%. More importantly, the ANN shows a remarkable extrapolation capacity, as it is capable of predicting the viscosity of systems including solvents (ethanol) and hydrogen bond donors (2,3-butanediol) not considered in the training. The ANN model also demonstrates an extensive applicability domain, covering 94.17% of the entire database. These achievements represent a significant step forward in developing robust, open source, and highly accurate models for DESs using molecular descriptors.

24 February 2023 in Langmuir
Verified
Journal Article
Closed access
ALArthur Mussi Luz
Arthur Mussi Luz
GBGabriel Barbosa
Gabriel Barbosa
CMCarla Manske
Carla Manske
Frederico Wanderley TavaresFrederico Wanderley Tavares
Frederico Wanderley Tavares

1 July 2019 in Fluid Phase Equilibria
Verified
Journal Article
Closed access
JBJurgen Lange Bregado
Jurgen Lange Bregado
Argimiro Resende SecchiArgimiro Resende Secchi
Argimiro Resende Secchi
Frederico Wanderley TavaresFrederico Wanderley Tavares
Frederico Wanderley Tavares
DRDasciana de Sousa Rodrigues
Dasciana de Sousa Rodrigues
RGRossano Gambetta
Rossano Gambetta

7 October 2020 in Journal of Molecular Modeling
Verified
Journal Article
Closed access
PDF file
GSGuilherme C. Q. da Silva
Guilherme C. Q. da Silva
GSGabriel M. Silva
Gabriel M. Silva
Frederico Wanderley TavaresFrederico Wanderley Tavares
Frederico Wanderley Tavares
FFFelipe P. Fleming
Felipe P. Fleming
BHBruno A. C. Horta
Bruno A. C. Horta

2 August 2019 in Industrial & Engineering Chemistry Research
Verified
Journal Article
Closed access
KSKeerti Vardhan Sharma
Keerti Vardhan Sharma
RSRobert Straka
Robert Straka
Frederico Wanderley TavaresFrederico Wanderley Tavares
Frederico Wanderley Tavares