Composition and characterization of the heavy fractional compound in medium low temperature coal tar
The comprehensive and efficient utilization of medium and low temperature coal tar helped to improve the comprehensive utilization efficiency of coal as a chemical raw material.The compound composition and molecular characterization of the heavy fraction of medium and low temperature coal tar were important data foundations for the efficient processing and utilization of medium and low temperature coal tar.The nitrogen compounds,oxygen com-pounds and aromatic compounds that affect the processing and utilization of heavy components of typical medium-low temperature coal tar were characterized at molecular level by electrospray ionization source(ESI)and atmospheric pressure photoionization source(APPI)combined with Fourier transform ion cyclotron resonance mass spectrometer(FT-ICR MS).On this basis,the composition and distribution of the above types of compounds were analyzed.The results showed that eight kinds of basic nitrides with different molecular compositions such as N1、N2、N1O1、N1O2、N1O3、N2O1、N2O2、N1O1S1had been identified by positive ion electrospray(ESI)combined with FT-ICR MS.Seven types of non-basic nitrides including N1、N2、N1O1、N1O2、N1O3、N2O1、N1O1S1,were detected by FT-ICR MS with negative ion ESI mode,while six types of acid oxides including O1、O1S1、O2、O2S1、O3、O4 were detected.4 167 aromatic compounds were detected in the positive ion mode of APPI combined with FT-ICR MS.Among them,the basic nitrides of N1 and N1O1 had higher relative abundance,the higher relative abundance of non-basic nitrides were N1O,and N1O2 compounds,and the higher relative abundance of acid oxides were O1,O2 and O3 compounds.According to the equivalent double bond number(DBE)and carbon number distribution of the main compounds,the molecular composition of N,basic nitrides could be inferred.The main nuclear structure of N1 basic nitrides were polyaromatic ring with 2-4 rings,including quinoline,acridine,phenanthidine,dibenzoquinoline and benzobaadine.The main parent nucleus structures of N1O,alkaline nitrides were benzoquinoline,acridine,phenan-thridine,dibenzoquinoline,benzoacridine,and dibenzacridine,which were combined with furan,oxyfluorene,and other structures.Compared with basic nitrides,N1O1and N1O2 non basic nitrides had relatively short side chains,and their parent nucleus structures were pyrrole,indole,carbazoepoxane,furan,and some benzene ring structures.Oxygen exists in the form of hydroxyl,ether,carbonyl,or acyl groups.There were many types of O1 acidic oxides,and the parent nucleus structure was mainly composed of naphthol,anthracene,phenanthrene,benzo anthracene,benzo naphthol,and a small amount of pyrene phenol.There were fewer types of O2 type acidic oxides,and the parent nucleus structure was mainly composed of naphthalene,anthracene,and phenanthrene,as well as long-chain alkanes with carboxyl functional groups.The number of types of O3 type acidic oxides was between O1 and O2 types,and the parent nucleus structure might be naphthalene diphenyl furan,anthracene diphenyl,and phenanthrene diphenyl.The alkyl side chain contained structures such as hydroxyl,ether bonds,or carboxyl groups.Aromatic compounds were mainly 2-3 ring polycyclic aromatic hydrocarbons with longer alkyl side chains.
medium low temperature coal tarheavy fractionresonance mass spectrometrymolecular character-izationoxygen compoundsnitrogen compoundsaromatic compounds
万方数据
维普
