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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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二次合成y型杂原子分子筛的吸附脱硫研究
, PP. 507-512
Keywords: 同晶取代,dft,模拟燃料,吸附脱硫
Abstract:
？采用液-固相同晶取代反应制备骨架含ga的y型分子筛(aly),研究其吸附脱除硫质量分数为500×10-6模拟燃料中的硫化物。aly处理含噻吩、四氢噻吩(tht)、4,6-二甲基二苯并噻吩(4,6-dmdbt)、二苯并噻吩(dbt)、苯并噻吩(bt)和4-甲基二苯并噻吩(4-mdbt)的模拟燃料时的吸附容量分别为7.0、17.4、14.5、16.9、6.9和5.8mg(s)/g吸附剂。采用密度泛函理论(dft)中的广义梯度近似方法(gga)计算各分子中硫原子上的电荷数,噻吩、四氢噻吩、4,6-二甲基二苯并噻吩(4,6-dmdbt)、二苯并噻吩(dbt)、苯并噻吩(bt)和4-甲基二苯并噻吩(4-mdbt)中硫原子上电荷数分别为-0.159、-0.298、-0.214、-0.211、-0.193、-0.188。四氢噻吩和4,6-dmdbt中硫原子上的电子密度大于噻吩中硫原子上的电子密度,这就使得四氢噻吩和4,6-dmdbt中的硫原子与吸附位间的作用会明显大于噻吩中的硫原子与吸附位间的作用。采用aly处理催化裂化汽油时的脱硫率可达68%。
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