Volume 4, Issue 3 (March 2007)
New Solvents for Agriculture—A Theoretical Modeling Approach
Due to increasing environmental and regulatory concerns, many traditional solvents used in agricultural applications are currently under scrutiny. The agricultural industry needs to find alternative solvents that are environmentally friendly while continuing to deliver traditional solvent performance. A theoretical approach based on Hansen solubility parameters is described to screen potential new solvents using molecular modeling. In order to correlate theoretical data, experimental solubility data was developed for a number of agro active ingredients representing several different chemical classes. Experimental data results partially supported the theoretical approach used in this study. A trend was observed that can be used to select potential new solvents. A number of lead candidates were defined for further investigation.