科研之友
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摘要
In this paper, studies were conducted in order to improve the calculation accuracy of acid-base constants measured by inverse gas chromatography. The conventional a.(gamma(d)(l))(0.5) parameters of DCM (dichloromethane), TCM (trichloromethane), and EtAcet (ethyl acetate) were corrected as 185, 212, and 235 angstrom(2)(mJ/m(2))(0.5) by analyzing the relationship between a.(gamma(d)(l))(0.5) and the boiling temperature of the probe solvents, where a is molecular area and gamma(d)(l) is surface dispersive free energy of the probe solvents, respectively. To validate the availability of the new a.(gamma(d)(l))(0.5) values, the acid-base constants of polystyrene were measured. It was found that when the new a.(gamma(d)(l))(0.5) parameters were adopted, the final linear fit degree for the plot of -Delta H-a(s)/AN(*) versus DN/AN* was enhanced from 0.993 to 0.999, and the standard deviation was decreased from 0.344 to 0.156. In addition, the availability of general application to improving the calculation accuracy of acid-base constants with the new a.(gamma(d)(l))(0.5) parameters was also proved with a mathematical justification.
- 出版日期2012-3-30
- 单位东北林业大学
