Title:
EXTRACTING AGENT SELECTION SUPPORT DEVICE, EXTRACTING AGENT SELECTION SUPPORT METHOD AND PROGRAM
Document Type and Number:
Japanese Patent JP2023042708
Kind Code:
A
Abstract:
To support selection of an extracting agent in a solvent extracting method.SOLUTION: An extracting agent selection support device, which supports selection of an extracting agent in a solvent extracting method, comprises: a molecular information obtaining part that obtains molecular information about a diluent molecule and about a plurality of extracting agent molecules which become candidates; an extracting agent candidate selecting part that calculates an HLB value of each of the plurality of extracting agent molecules and narrows down the extracting agent molecules which become candidates on the basis of the calculated HLB values; a molecular dynamics calculating part that performs molecular dynamics calculation in a three-dimensional model including an organic phase and a water phase in a case where each of the narrowed-down extracting agent molecules is used, so as to calculate pressure tensor in an interface between the organic phase and the water phase; and an interface tension calculating part that calculates interface tension in the interface on the basis of the calculated pressure tensor of each of the narrowed-down extracting agent molecules.SELECTED DRAWING: Figure 1
Inventors:
NISHIHARA YASUTAKA
Application Number:
JP2021149977A
Publication Date:
March 28, 2023
Filing Date:
September 15, 2021
Export Citation:
Assignee:
SUMITOMO METAL MINING CO
International Classes:
B01D11/04
Attorney, Agent or Firm:
Tadashige Ito
Tadahiko Ito
Tadahiko Ito
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