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

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.

References

  1. Capaccio G., Gardner A.J., P. Hope P.S. and Wilkinson K., The Industrial Interest in blends, Makromol. Chem. Makromol. Symp. 38, 267-273 (1990)
  2. Warren R.I., Polyphenylene ethers and their alloys, Polym . Eng. Sci., 25(8), 477- 482 (1985)
  3. Boom R.M., Equilibrium Thermodynamics of a Quaternary Membrane-Forming System with Two Polymers 1. Calculations, Macromolecule, 27(8), 2034-2040 (1994)
  4. Masuda K., Kaji H. and Horii F., CP/MAS 13C NMR analyses of hydrogen bonding and the chain Conformation in the crystalline and noncrystalline regions for poly (vinyl alcohol) films, J. Polym Sci Part B: Polym Phy. 38(1), 1-9 (2000)
  5. Ronco, Ed., Polymethymethacrylate - A Flexible membrane for a tailored dialysis: Contributions to nephrology, Karger, Basel, Switzerland, 125 (1999)
  6. Bnrandrup J., Immergut E. and Grulke E.A., Polymer Handbook, John Wiley, Newyork, (1999)
  7. Lee W., Lee H. C., Chang T. and Kim S.B., Characterization of Poly (Methyl methacrylate) by Temperature Gradient Interaction Chromatography with On-Line Light Scattering Detection, Macromolecules,31344 - 348 (1998)
  8. Huang Y.L., Merker T., Heilig M., Hasse H. and Vrabec J., Molecular Modeling and Simulation of Vapor–Liquid Equilibria of Ethylene Oxide, Ethylene Glycol, and Water as Well as their Binary Mixtures, Ind. Eng. Chem. Res.,51(21), 7428–7440 (2012)
  9. Ballenger V., Kaltenecker – Commercon J. and Verdu J., Tordjeman .P, Interactions of solvents with poly (methyl methacrylate), Polymer, 38(16), 4175-4184 (1997)
  10. Fan C.F., Olafson B.D., Blanco M. and Hsu S.L., Application of Molecular Simulation to derive phase diagrams of binary mixtures, Macromolecules, 25(14) ,3667 -3676 (1992)
  11. Flory P.F., Principles of Polymer Chemistry (Cornell University Press:Ithaca (1953)
  12. Hopfinger A.F. and Koehler M.G., ACS PMSE Preprints69, 43 (1993)
  13. Benoit H.C., Decker D., Higgins.J.S., Picot C., Cotton J. P. , Farnoux BJannink G. and Oben R., Nature Phys. Sci.,24,13 (1973)
  14. Sanchez I.C., ‘Polymer Blends’ edited by D R Paul S Newman, Academic Press, Orlando, I(3), (1978)
  15. Dharmalingam K., Ramachandran K. and Sivagurunathan P., FTIR and dielectric studies of molecular interaction between alkyl methacrylates and primary alcohols, Physica B:Condensed mater, 392(1), 127-131 (2007)
  16. Belmares M., Blanco W. A., Goddard III Ross R. B. , Caldwell G. , Chou S. H., Pham Olofson P.M. and Cristina Thomas, Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors, Journal of Computational Chemistry, 25(15), 1814 -1826 (2004)