ESTIMATION METHOD OF HANSEN SOLUBILITY INDEX

摘要

PROBLEM TO BE SOLVED: To provide a method for estimating an HSP of an objective substance by estimating an unknown parameter value constituting a Hansen solubility index (HSP) of a radical mass in a molecular structure of the objective substance.;SOLUTION: A molecular structure information of a substance BX containing a radical mass X in which a parameter constituting an HSP is unknown, and the HSP is known is acquired (S41), a molecular structure of an another substance BX is dissolved into the radical mass (S42), a number at each radical mass is calculated (S43), a provisional value is substituted to a parameter of the radical mass X (S44), an HSP of the another substance BX is calculated on the basis of the provisional value of the radical mass X and the parameter of the other radical mass, and a difference Δδ between the calculated HSP of the another substance BX and the known HSP of the another substance BX is calculated (S45), the difference Δδ is calculated with respect to a plurality of the substances which contain the radical masses X, and are unknown in the HSPs (S46), and an optimum parameter of the radical mass X is calculated by using a least-square method so that the difference Δδ becomes the smallest with respect to a plurality of the substances (S47).;SELECTED DRAWING: Figure 3;COPYRIGHT: (C)2019,JPO&INPIT