International Journal of Materials Science and Applications

Volume 3, Issue 4, July 2014

  • Geometrical Structure, Vibrational Spectra and Thermodynamic Properties of Chitosan Constituents by DFT Method

    Isaac Onoka, Alexander Pogrebnoi, Tatiana Pogrebnaya

    Issue: Volume 3, Issue 4, July 2014
    Pages: 121-128
    Received: 24 July 2014
    Accepted: 30 July 2014
    Published: 10 August 2014
    Abstract: The interaction between glucosamine molecules has been studied theoretically. The geometrical structures of monomer (A), dimer (AA) and trimer (AAA) molecules of glucosamine were optimized and vibrational spectra were calculated by DFT/B3LYP method using GAMESS software (Firefly version 8.0.0). The theoretical vibrational spectra for the glucosamin... Show More
  • Preliminary Study on Blend Based Mixed Ion- Electron Conductor- (PVA: PVK): CH3COONH4: EC System

    Shanker Lal Agrawal, Rajendra Prasad Kumhar

    Issue: Volume 3, Issue 4, July 2014
    Pages: 129-136
    Received: 5 July 2014
    Accepted: 8 August 2014
    Published: 20 August 2014
    Abstract: An attempt has been made in the present work to develop blend based mixed ion-electron conductor viz. PVA: PVK: CH3COONH4: EC system. Formation of polymer blend and composite has been evidenced during XRD and IR studies. Ionic conductivity of this system is seen to improve by an order of magnitude at room temperature with optimum at 1.27×10-3 S/cm ... Show More