Title:
METHOD AND PROGRAM FOR CALCULATING VALUE OF PHYSICAL PROPERTY, AND COMPUTER READABLE RECORDING MEDIUM
Document Type and Number:
Japanese Patent JP2007212356
Kind Code:
A
Abstract:
To easily calculate the saturation vapor pressure and activity coefficient of unknown material.
The simulation system is constituted of following steps: (S10) the molar fraction of vapor phase and liquid phase of each material in mixed solution are determined based on experimental data; (S20 to S50) the activity coefficient and saturation vapor pressure of each material are provisionally calculate following to the NRTL formula and Antoine formula while using suitably determined constants; (S60-S80) the molar fraction (yi(cal)) of vapor phase of each material is calculated by using the calculated activity coefficient, the saturation vapor pressure and the liquid phase molar fraction; and (S110) the constant for each material is outputted as a constant for calculating the saturation vapor pressure and the activity coefficient, if the total sum of the Δyiof the all materials in the mixed solution satisfies the prescribed condition, where the Δyiis calculated from the molar fraction determined based on the experimental data (yi(exp)) and the yi(cal) for each material.
COPYRIGHT: (C)2007,JPO&INPIT
Inventors:
IWAHARA MASARU
NARAHARA HIDEO
Application Number:
JP2006034221A
Publication Date:
August 23, 2007
Filing Date:
February 10, 2006
Assignee:
SUMITOMO CHEMICAL CO
International Classes:
G01N7/00; G01N30/86
Attorney, Agent or Firm:
Kuro Fukami
Toshio Morita
Yoshihei Nakamura
Yutaka Horii
Hisato Noda
Masayuki Sakai
