| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Esperança, José Manuel Silva Simões
Universidade Nova de Lisboa
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (27/27 displayed)
- 2023Multifunctional magnetoelectric sensing and bending actuator response of polymer-based hybrid materials with magnetic ionic liquidscitations
- 2023CO2 hydrates phase behaviour and onset nucleation temperatures in mixtures of H2O and D2Ocitations
- 2022Structural organization of ionic liquids embedded in fluorinated polymerscitations
- 2021Photocurable temperature activated humidity hybrid sensing materials for multifunctional coatingscitations
- 2020Design of Ionic-Liquid-Based Hybrid Polymer Materials with a Magnetoactive and Electroactive Multifunctional Responsecitations
- 2020Chitosan polymer electrolytes doped with a dysprosium ionic liquidcitations
- 2020QSPR Modeling of Liquid-liquid Equilibria in Two-phase Systems of Water and Ionic Liquidcitations
- 2019Ionic Liquid Cation Size-Dependent Electromechanical Response of Ionic Liquid/Poly(vinylidene fluoride)-Based Soft Actuatorscitations
- 2019Ionic-liquid-based printable materials for thermochromic and thermoresistive applicationscitations
- 2018Low-field giant magneto-ionic response in polymer-based nanocompositescitations
- 2017Playing with ionic liquids to uncover novel polymer electrolytescitations
- 2017Effect of storage time on the ionic conductivity of chitosan-solid polymer electrolytes incorporating cyano-based ionic liquidscitations
- 2017Polymer electrolytes for electrochromic devices through solvent casting and sol-gel routescitations
- 2017Structural, morphological, ionic conductivity, and thermal properties of pectin-based polymer electrolytescitations
- 2017A luminescent europium ionic liquid to improve the performance of chitosan polymer electrolytescitations
- 2016Imidazolium-based ionic liquid type dependence of the bending response of polymer actuatorscitations
- 2016Electromechanical actuators based on poly(vinylidene fluoride) with [N1 1 1 2(OH)][NTf2] and [C2mim] [C2SO4]citations
- 2016Development of poly(vinylidene fluoride)/ionic liquid electrospun fibers for tissue engineering applicationscitations
- 2015High performance electromechanical actuators based on ionic liquid/poly(vinylidene fluoride)citations
- 2015Effect of ionic liquid anion and cation on the physico-chemical properties of poly(vinylidene fluoride)/ionic liquid blendscitations
- 2015Effect of the alkyl chain length of the ionic liquid anion on polymer electrolytes propertiescitations
- 2014Generating ionic liquids from ionic solidscitations
- 2014Ionic liquids for solid-state electrolytes and electrosynthesiscitations
- 2013Development of solid polymer electrolytes based on poly(vinylidene fluoride-trifluoroethylene) and the [N-1 1 1 2(OH)][NTf2] ionic liquid for energy storage applicationscitations
- 2013Thermophysical and magnetic studies of two paramagnetic liquid salts: [C(4)mim][FeCl4] and [P-66614][FeCl4]citations
- 2013Electrochemical applications of electrolytes based on ionic liquidscitations
- 2012Synthesis and electrochemical characterization of aPEO-based polymer electrolytescitations
Places of action
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article
QSPR Modeling of Liquid-liquid Equilibria in Two-phase Systems of Water and Ionic Liquid
Abstract
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 liquid+water two-phase systems were modeled using a Quantitative-Structure-Property Relationship (QSPR) method. Data on equilibrium concentrations were taken from the ILThermo Ionic Liquids database, curated and used to make models that predict the weight fraction of water in ionic liquid rich phase and ionic liquid in the aqueous phase as two separate properties. The major modeling challenge stems from the fact that each single IL is characterized by several data points, since equilibrium concentrations are temperature dependent. Thus, new approaches for the detection of potential data point outliers, testing set selection, and quality prediction have been developed. Training set comprised equilibrium concentration data for 67 and 68 ILs in case of water in IL and IL in water modeling, respectively. SiRMS, MOLMAPS, Rcdk and Chemaxon descriptors were used to build Random Forest models for both properties. Models were subjected to the Y-scrambling test for robustness assessment. The best models have also been validated using an external test set that is not part of the ILThermo database. A two-phase equilibrium diagram for one of the external test set IL is presented for better visualization of the results and potential derivation of tie lines. ; authorsversion ; published