Author/Authors :
N. Saadarkish Department of Polymer Reaction Engineering - Faculty of Chemical Engineering - Tarbiat Modares University, Tehran, Iran , J. Karimi-Sabet NFCRS - Nuclear Science and Technology Research Institute, Tehran, Iran , A. Sharif Department of Polymer Reaction Engineering - Faculty of Chemical Engineering - Tarbiat Modares University, Tehran, Iran
چكيده لاتين :
The synthesis of polymers in eco-friendly media, such as supercritical fluids, is an important consideration in green chemistry. The present work, investigates the possibility of the synthesis of a polymer of intrinsic microporosity, PIM-1, in supercritical carbon dioxide, scCO2, as the reaction medium. The solubilities of the monomers of PIM-1, 5,5,6,6-tetrahydroxy–3,3,3,3- tetramethyl–1,10-spirobisindane (TTSBI) and tetra-fluorophathalonitrile (TFTPN), in scCO2 would be crucial to infer the above possibility. Therefore, the enthalpy of mixing values of scCO2-TFTPN and scCO2-TTSBI systems are estimated using molecular dynamics simulation method and used as a measure of solubility of TFTPN and TTSBI in scCO2. The results show negative enthalpy of mixing values for both scCO2-monomer systems, indicating favorable intractions between the monomers and scCO2 molecules. The lowest values of scCO2-monomer mixing enthalpy are obtained at 90 ̊C ,120 bar and 70 ̊C, 200 bar for TFTPN and TTSBI, respectively. Based on the obtained results, scCO2 can be regarded as an economic and environmental friendyly medium for synthesis of polymer PIM-1.
