Crop protection

An agricultural herbicide used in crop protection is typically “stored” as a liquid solution. A good solvent must offer a large enough herbicide solubility over a relevant temperature range.

It is therefore desirable to be able to “scan” through a large number of solvent candidates in order to find one that offer a good herbicide solubility. The scan can be done theoretically, by using algorithms for calculating molecular chemical potentials, e.g. through the UNIFAC model [Aage Fredenslund, Russell L. Jones and John M. Prausnitz, “Group-Contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures”, AIChE Journal, vol. 21 (1975), p. 1086].  

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