Chemistry of Polymerization Products of p-Benzoquinone. 13C NMR and Molecular Dynamics Study

Madkour, Tarek M.

doi:10.1295/polymj.29.670

Cited by 14 publications

(16 citation statements)

References 14 publications

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“…33,34 The polymer was synthesized in 0.85% sulfuric acid by refluxing p-benzoquinone for 12 h, as shown in (Fig. 1).…”

Section: Resultsmentioning

confidence: 99%

“…Polymerization reactions involving acid and base catalysis and Suzuki coupling have been previously reported. [32][33][34][35][36][37] We report herein, the synthesis of quinone conjugated polymers by the cationic polymerization of benzoquinone, and their uses as non-gassing electrode materials in electro-osmotic pumps. * Electrochemical Society Active Member.…”

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confidence: 99%

“…31,33,34 The p-Benzoquinone (3.0 g; 0.277 mol) was refluxed in 50 mL of 0.8% sulfuric acid solution for 12 h. The formation of the polymer was monitored using FTIR and was confirmed using 1 HNMR. The brittle brown-black solid was separated by filtration, washed with distilled water and dried.…”

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confidence: 99%

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Development of Redox-Conducting Polymer Electrodes for Non-Gassing Electro-Osmotic Pumps: A Novel Approach

Sachan

Singh

Jahan

et al. 2014

J. Electrochem. Soc.

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In an attempt to replace gassing metal electrodes, a new type of redox-conducting polymer electrodes for non-gassing electroosmotic pumps is developed. The work describes the application of a redox-conducting poly(hydroquinone/benzoquinone) electrode which was synthesized by cationic polymerization of benzoquinone and containing protic ceramic frit membranes. Laboratory made electro-osmotic pump was tested with developed polymer electrodes by varying different membrane thickness, applied voltage and flow-opposing (stall) pressure. As expected, with decrease in membrane thickness, flow-rate was observed to increase and the maximum flux per unit applied voltage was ∼30.3 μL.min −1 .cm −2 .V −1 . The maximum stall pressure (at zero flow-rate) was ∼10.0 kPa at 3.0 V with a membrane of 1.5 mm thick; stall pressure increased with increase in applied voltage. The maximum value of thermodynamic efficiency obtained was 0.16%. The pump could be operated continuously at 1.5 V and 3.0 V with flow rates of 4.0 ± 1.0 and 14.0 ± 1.0 μL.min −1 , respectively. Obtained performance results vindicate the novel attempt of developing redox-conducting polymer for applications in microfluidic devices, such as insulin pumps used for diabetes management.

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“…33,34 The polymer was synthesized in 0.85% sulfuric acid by refluxing p-benzoquinone for 12 h, as shown in (Fig. 1).…”

Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

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Development of Redox-Conducting Polymer Electrodes for Non-Gassing Electro-Osmotic Pumps: A Novel Approach

Sachan

Singh

Jahan

et al. 2014

J. Electrochem. Soc.

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“…By definition, the second derivative of the lattice energy with respect to the lattice parameters and the atomic coordinates represents the stiffness matrix by the following relation 16,17) was used in this study. The initial conformations of PES were generated in a cubic cell with periodic boundary conditions.…”

Section: Theoretical Methodologymentioning

confidence: 99%

Dynamical simulated annealing for assessing the high performance nature of poly(ethersulfone)s

Madkour¹

1999

Angew. Makromol. Chem.

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In order to assess the high performance nature of poly(ethersulfone) or to provide an understanding of its molecular origin, stress‐strain measurements were carried out as a function of temperature for neat poly(ethersulfone) as well as its glass‐ and carbon‐reinforced composites. It was observed that the modulus of these samples has not dramatically changed when changing the temperature; instead, the tensile strength values changed on the expense of the elongation at break as to keep the modulus constant. Close inspection of the molecular‐level behavior of the material using molecular simulation techniques revealed that the distribution of the dihedral angles around the oxygen and sulfur atoms did not drastically change below the heat deflection temperature, possibly due to the rigidity of the polymeric chains. However, above that temperature the conformational change was evident as the chains exhibited more of the higher energy conformations. Young's modulus predicted for the polymer indicated a good agreement with the experimental observations thus suggesting the validity of the model to describe the real system. Other key elastic constants of the polymer, such as the Poisson values, Lame constants and the compressibility were also evaluated.

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“…Furthermore, four additional computer simulation runs were performed at 225 8C, 275 8C, 325 8C, and 375 8C to evaluate the molecular behavior of PES above the heat deflection temperature. An 'all-atom' representation with the corresponding forcefield parameters 16,17) was used in this study. The initial conformations of PES were generated in a cubic cell with periodic boundary conditions.…”

Section: Theoretical Methodologymentioning

confidence: 99%

Dynamical simulated annealing for assessing the high performance nature of poly(ethersulfone)s

Madkour¹

1999

Angew. Makromol. Chem.

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In order to assess the high performance nature of poly(ethersulfone) or to provide an understanding of its molecular origin, stress-strain measurements were carried out as a function of temperature for neat poly(ethersulfone) as well as its glass-and carbon-reinforced composites. It was observed that the modulus of these samples has not dramatically changed when changing the temperature; instead, the tensile strength values changed on the expense of the elongation at break as to keep the modulus constant. Close inspection of the molecular-level behavior of the material using molecular simulation techniques revealed that the distribution of the dihedral angles around the oxygen and sulfur atoms did not drastically change below the heat deflection temperature, possibly due to the rigidity of the polymeric chains. However, above that temperature the conformational change was evident as the chains exhibited more of the higher energy conformations. Young's modulus predicted for the polymer indicated a good agreement with the experimental observations thus suggesting the validity of the model to describe the real system. Other key elastic constants of the polymer, such as the Poisson values, Lame constants and the compressibility were also evaluated. ZUSAMMENFASSUNG: AlsBeitrag zum Verständnis des molekularen Ursprungs der hervorragenden mechanischen Eigenschaften von Polyethersulfonen wurden Zugversuche sowohl an reinem als auch an glasund carbonfaserverstärktem Polyethersulfon bei verschiedenen Temperaturen durchgeführt. Dabei wurde beobachtet, daß der E-Modul der Proben sich mit der Temperatur nicht dramatisch ändert; statt dessen ändert sich die Zugfestigkeit auf Kosten der Bruchdehnung, wobei der E-Modul annähernd konstant bleibt. Simulationsrechnungen auf molekularer Ebene zeigen, daß sich die Verteilung der Diederwinkel um die Sauerstoffund Schwefelatome unterhalb der Temperaturgrenze der Wärmeformbeständigkeit nicht drastisch ändert, vermutlich wegen der Kettensteifheit. Oberhalb dieser Grenztemperatur sind jedoch Konformationsänderungen erkennbar, da die Ketten zunehmend in höherenergetischen Konformationen vorliegen. Die Ü bereinstimmung des aus den Modellrechnungen vorhergesagten E-Moduls mit den experimentell erhaltenen Werten zeigt, daß sich mit dem Modell ein reales System beschreiben läßt. Andere Elastizitätscharakteristika des Polymeren, wie Poisson-Werte, Lame-Konstanten und die Kompressibilität, wurden ebenfalls ermittelt.

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Chemistry of Polymerization Products of p-Benzoquinone. 13C NMR and Molecular Dynamics Study

Cited by 14 publications

References 14 publications

Development of Redox-Conducting Polymer Electrodes for Non-Gassing Electro-Osmotic Pumps: A Novel Approach

Development of Redox-Conducting Polymer Electrodes for Non-Gassing Electro-Osmotic Pumps: A Novel Approach

Dynamical simulated annealing for assessing the high performance nature of poly(ethersulfone)s

Dynamical simulated annealing for assessing the high performance nature of poly(ethersulfone)s

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