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Effect of SDBS solution on the surface potential properties of the Zhaozhuang coal

机译:SDBS解决方案对肇庄煤的表面势特性的影响

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It is of great significance to study the effect of surfactants on the coal surface potential for effective dust suppression in mining faces. The effect of different concentrations of sodium dodecyl benzene sulfonate (SDBS) solution on the surface potential of the Zhaozhuang coal was measured by atomic force microscopy (AFM). The experimental results show that the SDBS solution has significant influence on the surface potential of the Zhaozhuang coal. The electrical characteristics of the coal surface at the nanometer scale are different from those of macroscopic or the mesoscopic level. The surface potential of coal is basically a normal distribution, showing certain electrical characteristics. The mean value of the surface potential of the Zhaozhuang coal is increased with the increase in concentration of the SDBS solution; when the concentration of the SDBS solution is 0.3%, the mean value of surface potential is 5.59 mv, which is about two times of the mean value of the surface potential without SDBS solution added. With the increase of the concentration of the SDBS solution, the maximum value of the surface potential of the Zhaozhuang coal increases, and the minimum value decreases. It shows that the SDBS solution has a significant effect on the potential distribution law and the magnitude of the coal surface. Subsequently, on the basis of the constructed Zhaozhuang coal macromolecule model, xtb and Multiwfn simulation software were used to calculate the molecular surface electrostatic potential value and electron density value of the Zhaozhuang coal molecules after adding water molecules. The variation law for the electrostatic potential surface of the molecule was obtained after adding numbers of water molecules to the surface of the coal molecule. The simulation results show that the area proportion of absolute molecular surface electrostatic potential greater than 10 kcal/mol is increased with the growth in the number of water molecules, while the area proportion of absolute molecular surface electrostatic potential less than 10 kcal/mol is decreased. Because of the free state O & x2500;H bond polarity of water molecules, the charges on the molecular surface are rearranged in order to change the electron density on the surface of coal molecules, which affects the overall electrostatic potential of the configuration.
机译:研究表面活性剂对采矿面有效灰尘抑制的煤表面电位作用具有重要意义。用原子力显微镜(AFM)测量不同浓度的十二烷基苯磺酸钠(SDB)溶液对肇庄煤的表面电位的影响。实验结果表明,SDBS溶液对肇庄煤的表面势有重大影响。纳米级的煤表面的电特性与宏观或介面镜片水平的煤表面不同。煤的表面电位基本上是正常分布,显示出某些电气特性。随着SDBS溶液浓度的增加,肇庄煤的表面势的平均值增加;当SDBS溶液的浓度为0.3%时,表面电位的平均值为5.59mV,这是没有加入SDBS溶液的表面电位平均值的约两次。随着SDBS溶液浓度的增加,肇庄煤的表面电位的最大值增加,最小值降低。它表明,SDBS解决方案对潜在的分布法和煤表面的大小具有显着影响。随后,在构建的肇庄煤大分子模型的基础上,XTB和多件仿真软件用于在加入水分子后计算肇庄煤分子的分子面静电势值和电子密度值。在向煤分子的表面添加到煤分子的数量之后,获得分子的静电电位表面的变异律。仿真结果表明,随着水分子数的生长,绝对分子表面静电电位的面积比例增加,而绝对分子表面静电电位小于10kcal / mol的面积比例降低。由于自由状态O&X2500; H键的水分子极性,重新排列分子表面上的电荷以改变煤分子表面上的电子密度,这影响了构造的整体静电电位。

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