The Multi-parameter Calculation Method Of Relative Mass Calibration Factors For Flame Ionization Detector

In the quantitative application of gas chromatography,for getting accurate and precise analytical results,it is necessary to know the calibration factor of each compound under the GC experimental conditions employed.We can through the experimental data,literature data or calculation method obtain calibration factors.However,the experiment cost a lot of time,and sometimes it is not easy to obtain pure compounds or the standard samples of known content.Consequently,the theory method for calculating calibration factors to be very necessary.Based the principle of flame ionization detection(FID),a multi-parameter relative mass calibration factor calculation formula was proposed by our research group.However,in the derivation,ignored the number of hydrogen atoms.Therefore,on the basis of the previous work,we optimize the original formula.Compared with the original formula,this formula has more parameters.And it can give definite meanings of these parameters.This new formula can calculate relative mass calibration factors of different kinds of organic compounds.Compared with the data in the literature,it can give batter result of relative mass calibration factor for many compounds.Through this formula,we can deduce the relationship of relative molar response value(RMR)and the carbon numbers.We also discussed the influence of different impurity atoms、functional groups and molecular stability on relative ionization efficiency of carbon atoms in organic compounds.For alcohols、amines、aldehydes、ketones、acids and esters,considering the influence of heteroatom and functional group on α、β and γ carbon atoms.In addition,for benzene and its derivatives,we researched the relationship between carbon ionization efficiency and conjugate system.Moreover,we studied the influence of substituent on ionization efficiency of benzene ring carbon atoms.The new calculation formula also can calculate and forecast the relative mass calibration factors of unknown type compounds by using the parameter of known type compounds.