Property cluster based visual technique for synthesis and design of formulations

Abstract In this work, a new simple, yet effective, systematic method to synthesize and design formulations is presented. Visualization of the problem is achieved by employing recently developed property clustering techniques, which allows a high-dimensional problem to be visualized in two or three dimensions. The clusters by definition satisfy intra-stream and inter-stream conservation through linear “mixing” rules and are therefore applicable in formulation design. For any formulation design problem, the target and the raw materials are identified on a ternary property cluster diagram. Since formulation design involves only mixing operations, the optimal formulation is easily determined together with all possible solutions by determining the mixing operations that will match the target. It should be noted that the design of the formulation and the simulation of the mixing operation are performed simultaneously.