|Budget Amount *help
¥3,400,000 (Direct Cost: ¥3,400,000)
Fiscal Year 2003: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2002: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 2001: ¥2,200,000 (Direct Cost: ¥2,200,000)
1.Henry's constants and infinite dilution activity coefficients of propane, propene, butane, isobutene, 1-butene, isobutene, trans-2-butene, and 1,3-butadiene in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol and 2-pentanol at a temperature range of 250 to 330 K were measured by a gas stripping methad, and the reproducible data were obtained.
2.A new experimental apparatus to measure Henry's constants at high-temperature and high-pressure was developed, and the Henry's constants of CO_2 in methanol at a temperature range of 250 to 500 K were measured.
3.A molecular simulation of Henry's constants of isobutene in methanol was performed using a intermolecular potential based on a site-site model. To develop a molecular simulation method, a new simulation method, which is called "multi-stage molecule-insertion method", was proposed. This simulation method with the multi stages gives a better reproducibility than other methods like the Kirkwood integration method.