DEVELOPMENT OF PREDICTIVE MODELS FOR INFINITE DILUTIONACTIVITY COEFFICIENTOF ALCOHOLIN IONIC LIQUIDSUSING GROUP CONTRIBUTION METHOD

Group contribution method (GCM) is appliedto develop predictive modelsfor the estimation of the infinite dilution activity coefficient (IDAC) of alcoholin ionic liquids (ILs).The existingnumber of more than 1018 ILs made it unpractical to measure IDAC valuesexperimentally for each synthesized ILs. Thus, developing GCM model is more convenient when compared to other thermodynamics models which requires 3 or more parameters. In this work, two van’tHoff models consist of two (Model I) and three parameters (Model II) are used to calculate the value of IDAC using multiple linear regression (MLR) method and optimized by generalized reduced gradient (GRG) non-linear algorithm in order to obtain a similar value from both experimental and predicted data points