I am performing simulation on Aspen Plus for esterification reaction. I Want to know that how can I calculate the pure components and binary interaction parameters of components in ASPEN Plus?
Please check "The Properties of Gases & Liquids", (R. C. Reid, J. M. Prausnitz & B. E. Poling) for pure components and DETHERM from DECHEMA | Databases for mixture data. You can also find data on webbook.nist.gov - or more easily - you buy the appropriate properties licenses from Aspentech and have it all available without tedious research
Certain property methods, namely NRTL, UNIQUAC and SRK variants, allow you to estimate the binary parameters using UNIFAC variant molecular structures. If you go to the binary parameters window, on the top there is a checkmark saying "estimate using UNIFAC", and once you click it, you can go to Estimation > Binary groups to choose which UNIFAC variant to use. Keep in mind these are estimations, and if you have experimentally determined parameters, the simulation will be more precise.