شماره ركورد كنفرانس :
3834
عنوان مقاله :
STUDY ON THE RELATIONSHIP BETWEEN INTERACTION ENERGY ANDTHERMOPHYSICAL PROPERTIES OF IODIDE IONIC LIQUIDS
پديدآورندگان :
Zare Morteza Department of Chemistry, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran , Darabi Leila ndarabiscu@gmail.com Department of Chemistry, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran;
كليدواژه :
ionic liquids , 1-alkyl-3-methylimidazolium iodide , electronic properties , DFT , interaction energies
عنوان كنفرانس :
نوزدهمين سمينار شيمي فيزيك ايران
چكيده فارسي :
Understanding the relationship between the structures of ionic liquids and their properties is very important. On the basis of quantum chemical calculations, the effect of the alkyl chain length upon the cation-anion interaction energies of 1-alkyl-3-methylimidazolium iodide ionic liquids were studied. The impact of the cation-anion interaction strengths in the thermophysical properties of ionic liquids is further discussed. Density and surface tension of studied ionic liquids found to be fitted well in a linear fashion with the interaction energy values. While a close relationship between the calculated interaction energies and the melting point is not found.
