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Molecular Mechanics Study on the Interaction of MMA with Higher Alcohols and Organic Solvents

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Author Affiliations

  • 1Priyadarshini Engineering College, Vaniyambadi, Tamilnadu-635 752 INDIA
  • 2 Hindustan University, Padur, Chennai, Tamilnadu, INDIA

Res.J.chem.sci., Volume 4, Issue (8), Pages 46-53, August,18 (2014)

Abstract

Computer simulations have enabled fast, accurate and simple study of the structure and bending in small and macromolecular systems. In particular, the solute-solvent interaction studies have been made easy by molecular modeling with computers. The miscibility behavior of binary mixtures of MMA with various solvents viz., aromatic ether, halogens and alcohols at 303 K is studied using molecular simulation technique. The results were compared with the experimental ultrasonic techniques and are found to be in good agreement.

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