Molecular Dynamics Study on Structures and Adsorption Capacity of Activated Carbon Prepared from Corn Straw and Sewage Sludge by Molten Salt Method
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING(2024)
摘要
Activated carbon was prepared from corn straw and sewage sludge by molten salt method, and its structures and adsorption capacity were studied. When the ratio of raw materials to ZnCl 2 was 1:1, the specific surface areas and carbon recovery ratios of straw- and sludge-based activated carbon were 875.981 m 2 /g and 302.293 mg C /g activated carbon , and 294.721 m 2 /g and 149.663 mg C /g activated carbon , respectively. In the adsorption experiment of methylene blue (MB), the adsorption capacities of straw- and sludge-based activated carbon were 186.653 and 79.968 mg MB /g activated carbon , respectively. The microstructure and adsorption capacity of the prepared activated carbon were simulated through molecular dynamics models. The straw and sludge-based activated carbon models and carbon atom numbers in the slit models were developed based on the carbon recovery ratio. E int and Δ ξ of straw- and sludge-based activated carbon were − 446.666 kcal/mol and 0.002 eV, and − 209.138 kcal/mol and 0.005 eV, respectively. The simulation results indicated that the MB adsorption capacity of straw-based activated carbon was twice that of the sludge-based activated carbon. Compared with sludge-based activated carbon, straw-based activated carbon had a higher carbon recovery ratio, more adsorption active sites, and, therefore, stronger adsorption capacity.
更多查看译文
关键词
Molten salt method,Activated carbon,Corn straw,Sewage sludge,Molecular dynamics
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要