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Molecular‐dynamic simulation of conformations of acrylic monomers
Authors:M.Ye. Solovyov  A.A. Ilyin  V.H. Haritonov  M.M. Solovyov  G.V. Korolev  M.M. Mogilevich
Abstract:The computer simulation of local dynamics of associates of homologous series of acrylic esters has been developed. It is shown that dynamic behaviour of molecules in associate intrinsically changes in different temperature regions. Solid‐like behaviour is observed at low temperature, liquid‐like at intermediate temperatures and gas‐like behaviour at high temperature. Good correlation is obtained between the energy of intermolecular interactions of associates and melting points of corresponding chemical substances.
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