A Research Into The Response Regularity To Microwave On The Part Of The Organic Sulfur Occurrence In The Coking Coal & Thiophene Organic Sulfur

High-class coking coal and rich coal fall into the rare type. The existence of sulfur is placing a serious restriction on the processing and utilization of the coking coal. Over 30% of the sulfur occurrence in the coal is the organic sulfur difficult to deprive. As the main component of the organic sulfur in the bituminite, the thiophene organic sulfur is characterized as the most stable in structure, with the deprivation of thiophene sulfur as the difficulty in coal desulfuration. With the features of penetrability, selective heating and no temperature gradient, microwave has a possession of the advantages of avoiding the characteristic dissociation in desulfuration, rendering its utilization a good prospect.With the selection of high-sulfur coking coal in Shanxi Province and the recognition of endowment characteristics of the organic sulfur-bearing components and microscopic chemical structure in the coal, the author has chosen a series of thiophene model compounds matching the sulfur-bearing structure in the coal in an effort to conduct a research into the dielectric frequency and dielectric temperature spectrum on the part of the coal and model compounds, with the command of the features of absorption and conversion of microwave with respect to the coal and sulfur-bearing components. With the employment of multiple modern methods of analysis and testing and in combination with the theory of quantum chemistry, a research has been conducted into the changes in the attribute, conformation and energy of the sulfur-bearing molecules of thiophene model compounds under microwave with a view to carrying out an exploration into whether or not there exists non-thermal effect in the mechanisms of the accelerated response rate and the changed route in microwave and an analysis of the response regularity of thiophene sulfur-bearing structure to the microwave. This will serve as a theoretical support to the disclosure of the mechanism of microwave desulfuration and the optimization of desulfuration technology, bearing great significance to the progress of microwave desulfuration technology and the reduction of the harm of the sulfur in its application in the coking coal.The research has established that the organic sulfur in the sulfur-rich coking coal in Shanxi Province accounts for 70% of the total sulfur. The organic sulfur in the coal includes such occurrence forms as thioalcohol, thioether, thiophene, sulphone, sulfoxide, etc., with the content of thiophene making up over 60% in some parts of coking coal.With a comprehensive application of various methods of analysis, an a grasp of the structure characteristics of the main elements in the coal, a model of sulfur-bearing macromolecule structure containing 184 carbon atoms in the coking coal is put in place. Afterwards, with the selection of a series of thiophene model compounds that have a possession of sulfur-bearing features and the application of the method of transmission and reflection, a research into the dielectric parameters of the coal and its model compounds with the microwave frequency of 0-18GHz is under way. The outcome has established that the coal and its model compounds possess a relatively good absorption of the microwave, with the maximum dielectric loss in the frequency of 16-17GHz and the structure of model compounds having no obvious effect on the absorption of the microwave.With the limitation of the microwave frequency for the civil use in mind, and the employment of dielectric frequency and dielectric temperature spectrum, we have an in-depth exploration into the dielectric property of the coal and thiophene model compounds between the frequency points of 915MHz and 2450MHz, with an acquisition that thiophene sulfur-bearing structure has a possession of a better capacity to absorb microwave. With the test of dielectric parameters and the computation of quantum mechanics, a relationship between the dielectric property and the molecule structure in model compounds has been established to verify the utilization of ε’to describe the equivalence of mediator polarity in low-frequency zone.An exploration has been conducted into the reflection coefficient of the coking coal and the microwave penetration depth of thiophene sulfur-bearing model compounds, with the regularity of the former changing in line with the frequency confirming the feature of dielectric loss in the coal and the latter having good negative correlation with the microwave absorption capacity and wavelength.After an effect of the microwave, the relative content of thiophene sulfur in coking coal increased,with the microwave heating quickening the relative activities of the atoms and alleviating their interaction to render the molecule structure a metastable state and the chemical key a reduced capacity in dissociation. A comparative analysis of microwave heating and water bath heating helps the author to get to know the existence of non-thermal effect in addition to the thermal effect in the process of the microwave heating of model compounds.The analog computation of microscopic structure by means of density functional theory has demonstrated that microwave photon energy has no significant effect on the polarity of the thiophene organic sulfur-bearing molecule and the pros and cons of chemical keys, but possesses a capacity to change the steric configuration of model compounds. As a vector field, the energy magnitude and enforcement orientation of the microwave have an impact on the chemical structure.