International Journal of Coal Preparation and Utilization ( IF 2.1 ) Pub Date : 2022-03-13 , DOI: 10.1080/19392699.2022.2051012 Penghui Wang 1 , Wenli Liu 1 , Qiming Zhuo 1 , Qing Luo 1 , Xiaopeng Sun 1 , Jia Li 1
ABSTRACT
In this paper, Ordos low-rank coal was taken as the research object, methyl oleate and diethyl phthalate were used as test reagents, and the differences of coal slime flotation indexes under single collector and mixed collector conditions were compared and analyzed by the batch flotation testing of fine coal. Through DFT calculation, molecular dynamics simulation and Fourier transform infrared spectroscopy (FTIR) test, the mechanism of mixed collector improving the flotation index of low-rank coal was investigated. The results show that the flotation ability of single ester collector for low-rank coal is better than that of traditional oil collector, and the collector can further improve the flotation index of coal slime after mixing. There is a certain internal relationship between the frontier orbital energy and adsorption energy of collector molecules and their harvesting performance. When the single collector reaches adsorption equilibrium on the coal surface, the spatial orientation of the collector molecule is ‘horizontal’ on the coal surface, and the mixed collector is ‘vertical’ on the coal surface.
中文翻译:
混合捕收剂与低阶煤相互作用的机理:实验和模拟研究
摘要
【摘要】:以鄂尔多斯低阶煤为研究对象,以油酸甲酯和邻苯二甲酸二乙酯为试药,通过间歇浮选对比分析单一捕收剂和混合捕收剂条件下煤泥浮选指标的差异。细煤的测试。通过DFT计算、分子动力学模拟和傅里叶变换红外光谱(FTIR)测试,研究了混合捕收剂提高低阶煤浮选指标的机理。结果表明,单一酯类捕收剂对低阶煤的浮选能力优于传统油类捕收剂,该捕收剂混合后可进一步提高煤泥的浮选指标。捕收剂分子的前线轨道能和吸附能与其捕收性能之间存在一定的内在联系。当单一捕收剂在煤表面达到吸附平衡时,捕收剂分子的空间取向在煤表面为“水平”,混合捕收剂在煤表面为“垂直”。