Olefins Spectrial Prdiction Model And Its Aipplication In Measurement

As a very important intermediate product and organic material, olefin has very widely application. Which only contains carbon and hydrogen, this characteristic lay a foundation to measure vibration frequency with NIR. The electronegativity concept was defined in the 1930s by Pauling. Now the theory and application has been known to many people. The values are shown to be in good agreement with the known chemical behavior, and it also can guide commercial manufacture.This work summarize various kinds of computing methods of electronegativity, on this basis, select suitable method to obtain the electronegativity of groups or molecules, improve the method to calculate electronegativity, and then the electronegativities of groups placed in different molecular environments are obtained. Taking on these work develop a semi-empirical model with the aim of predicting vibration frequency, find out the relationship between vibration frequency and electronegativity, obtain the fundamental frequency and vibrational overtone absorptions, compared with the experimental value for the error analysis. Electronegativity has been discussed in many different ways, the intent of this text is to show that electronegativity can be used in a novel and rational way. It is the first time to predict the vibration frequency of olefins with electronegativity, the way to establish model is onefold, the accuracy of overtone has further improved space.Olefin content of oil affects its properties largely. Varieties of olefin can be measured by comparing the measured spectrum and the predicted spectrum, and then the performance of oil can be analyzed which provides the possibility of online supervisory control and real time optimization.