摘要
为探索十二烷基二甲基胺乙内酯(BS-12)、十二烷基硫酸钠(SDS)、十六烷基溴化吡啶(CPDB)、吐温80(Tween-80)4种表面活性剂以及其加入顺序、煅烧温度对酸性蚀刻废液制备氧化铜(CuO)的形貌与粒径的影响,使用X射线衍射仪(XRD)、红外光谱仪(FT-IR)、扫描电子显微镜(SEM)对所制备CuO的性能进行了表征,通过粒径分析与热重(TG)测试研究了CuO的粒径分布与热稳定性,使用MS软件中的Forcite模块在COMPASS力场下进行分子动力学计算,研究了表面活性剂分子在CuO表面吸附过程中的能量变化.结果表明:添加表面活性剂后,CuO颗粒分布均匀、大小均一,较优的4种表面活性剂为BS-12、SDS、CPDB、Tween-80.表面活性剂的加入顺序不影响CuO产物的成分及形貌.先加入BS-12,比后加入BS-12制备的CuO样品的平均粒径小,分别为2.85、7.50 nm;在400℃下煅烧,添加BS-12、SDS、CPDB、Tween-80制备的CuO颗粒均为不规则片状结构,平均粒径增大,分别为25、27、40和55 nm.4种表面活性剂通过模拟运动后都能自发吸附在CuO表面,在此过程中温度和能量在短暂波动后迅速达到平稳状态,吸附模型体系相对稳定.BS-12、SDS、CPDB、Tween-80对CuO表面的吸附能分别为-762.73、-556.10、-619.47、-739.81 kcal/mol,吸附能力大小为BS-12>Tween-80>CPDB>SDS.在酸性蚀刻废液制备CuO过程中加入表面活性剂,能有效提高CuO颗粒的均匀性.
Abstract
In order to study the effects of four surfactants,dodecyl dimethylamine ethylene lactone (BS-12),sodium dodecyl sulfate (SDS),cetyl pyridinium bromide (CPDB) and Tween-80,as well as their addition sequence and calcination temperature,on the morphology and par-ticle size of copper oxide (CuO) prepared from acid etching waste solution. The microstructure of CuO was characterized using X-ray diffrac-tometer (XRD) and infrared spectrometer (FT-IR) . The micro-topography of copper oxide was examined with scanning electron microscope (SEM) . The particle size distribution and thermal stability of CuO were investigated through particle size analysis and thermogravimetric (TG) testing. Molecular dynamics calculations were conducted using the Forcite module in MS software under the COMPASS force field to study the energy changes during the adsorption process of surfactant molecules on the CuO surface. Results showed that after the addition of surfactants,CuO particles exhibited uniform distribution and consistent size. The four optimal surfactants were identified as BS-12,SDS,CPDB and Tween-80. The order in which the surfactants were added did not affect the composition or morphology of the CuO product. The CuO samples prepared with BS-12 added first had a smaller average particle size compared to those with BS-12 added later,with sizes of 2.85 nm and 7.50 nm,respectively. When calcined at 400℃,CuO particles prepared with BS-12,SDS,CPDB and Tween-80 all exhibited irregular sheet-like structures with increased average particle sizes of 25,27,40 and 55 nm,respectively. After simulated motion,all four surfactants spontaneous-ly adsorbed onto the CuO surface,with temperature and energy stabilizing rapidly after brief fluctuations,indicating the relative stability of the adsorption model systems. The adsorption energies of BS-12,SDS,CPDB and Tween-80 on the CuO surface were-762. 73,-556. 10,-619.47 and-739.81 kcal/mol,respectively,with the adsorption strength ranked as BS-12>Tween-80>CPDB>SDS. The addition of surfac-tants in the preparation of CuO from acidic etching waste liquids effectively improved the uniformity of CuO particles.
维普
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