Synthetic Design of Polyester Electrolytes Guided by Hydrophobicity Calculations

Date

2016-10-25

Author

Yıldırım, Erol
Peretic, Matthew J.
Pasquinelli, Melissa A.
Mathers, Robert T.

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

310
views

0
downloads

Partition coefficients (LogP) help to quantify hydrophobicity, which can be used to guide the design of polymer electrolytes with properties. Thus, this study combined synthetic experiments and modeling to produce polyester electrolytes that solubilize lithium salts. These polyester electrolytes were derived from natural sources and polymerized with different ratios of polyols (diglycerol, glycerol, and diethylene glycol) and citric acid in the presence of lithium salts (LiTf and LiTFSI). The Fisher esterification produced homogeneous, cross-linked films with high optical transparency, whereas the lithium salts increased glass transition temperatures. The LogP values of monomers and the resulting polyesters were predicted using cheminformatics tools and indicate changing diglycerol to glycerol or diethylene glycol alters the hydrophobicity. Comparison of different molecular modeling methods with predicted LogP values demonstrate that LogP values are a reliable means of tailoring physical and chemical properties of these polymer electrolytes. Additionally, LogP values greatly benefit from being extremely less expensive from a computational standpoint as well as more convenient for calculating precursory quantitative information.

Subject Keywords

Inorganic Chemistry, Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/35527

Journal

MACROMOLECULES

DOI

https://doi.org/10.1021/acs.macromol.6b01452

Collections

Department of Chemistry, Article

Suggestions

OpenMETU
Core

Fabrication of a Novel Polymeric Scaffold for Amperometric Laccase Biosensor Soylemez, Saniye; Bekmezci, Aybüke; Göker, Seza; Toppare, Levent Kamil (Wiley, 2019-11-14) Present work displays the preparation of an electrochemical biosensor using a conjugated polymer and laccase enzyme for catechol quantification in samples. The biosensing system is based on an enzyme immobilization on polymer modified graphite transducer surface. For that purpose, a random conjugated polymer, thienothiophene-benzoxadiazole-alt-benzodithiophene (BOTT), was coated onto a graphite electrode surface via drop casting method followed by immobilization of a biomolecule (laccase) for sensing experi...
POLYMERIZATION OF BIS(4-BROMO-2,6-DICHLOROPHENOXO) ETHYLENEDIAMINE COPPER(II) COMPLEX BY ELECTRO-INITIATION KISAKUREK, D; YIGIT, S (Elsevier BV, 1991-01-01) Bis(4-bromo-2,6-dichlorophenoxo) ethylenediamine copper(II) complex has been polymerized using electro-initiation by constant potential electrolysis, in dimethylformamide-tetrabutylammonium fluoroborate solvent-supporting electrolyte couple, at room temperature under air or N2. The process leads to low molecular weight (5.6 x 10(3)) linear poly(dichlorophenylene oxide). The structures of the polymers were determined by H-1-NMR and C-13-NMR. The kinetics of the polymerization were followed by in situ cycl...
A new soluble conducting polymer and its electrochromic devices YİLDİZ, UMİT HAKAN; SAHİN, ELİF; Akhmedov, IM; Tanyeli, Cihangir; Toppare, Levent Kamil (Wiley, 2006-04-01) A new polythiophene derivative was synthesized by both chemical and electrochemical oxidative polymerization of 1-(1-phenylethyl)-2,5-di(2-thienyl)-1H-pyrrole (PETPy). Of which the chemical method produces a polymer that is completely soluble in organic solvents. The structures of both the monomer and the soluble polymer were elucidated by nuclear magnetic resonance (H-1 and C-13 NMR) and Fourier transform infrared (FTIR) spectroscopy. The average molecular weight has been determined by gel permeation chrom...
Electrochemical polymerisation of 2-aminofluorene in ethylalcohol/water medium Imamoglu, T; Önal, Ahmet Muhtar (Elsevier BV, 2004-08-01) Electrochemical polymerisation of 2-aminofluorene, 2AF, was investigated in ethylalcohol/water mixture (3:2, v:v) in the presence of HClO4 as the supporting electrolyte via constant potential electrolysis, CPE. Prior to CPE, electrochemical behaviour of the monomer was investigated in the same solvent electrolyte couple utilising cyclic voltammetry, CV. Electrochemical polymerisation of the monomer yielded insoluble, dark bluish-green, conducting polymer deposit on the electrode surface. Characterisation of...
Spectroelectrochemical and Photovoltaic Characterization of a Solution-Processable n-and-p Type Dopable Pyrrole-Bearing Conjugated Polymer Baran, Derya; Balan, Abidin; Esteban, Beatriz-Meana; Neugebauer, Helmut; Sariciftci, Niyazi Serdar; Toppare, Levent Kamil (Wiley, 2010-12-15) D-A-D-type polymers are of high interest in the field of photovoltaics and electrochromism. In this study we report the synthesis and electrochemical properties of PPyBT along with its photophysical properties and photovoltaic performance. PPyBT is soluble in common organic solvents and both n- and p-type dopable, which is a desired property for conjugated polymers. During electrochemistry studies, the onset potentials of the polymer were determined as +0.2V for oxidation and -1.4V for reduction. Using thes...

Citation Formats

E. Yıldırım, M. J. Peretic, M. A. Pasquinelli, and R. T. Mathers, “Synthetic Design of Polyester Electrolytes Guided by Hydrophobicity Calculations,” MACROMOLECULES, pp. 7868–7876, 2016, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/35527.