CAJ | 학술논문

基于选择性催化还原(selective catalytic reduction，SCR)催化剂对单质汞的氧化受煤中氯含量的限制，提出利用氯化钙改性SCR催化剂促进单质汞的氧化。在固定床实验台上研究了不同氯化钙添加量下SCR催化剂对单质汞的氧化性能，进而利用基于密度泛函的理论方法计算了单质汞在催化剂以及改性后的催化剂表面的吸附行为。结果表明，单独的SCR催化剂对单质汞的氧化效果很小，氧化效率仅为7%，添加1%的氯化钙后氧化效率提高到79%。进一步的理论计算表明，氯化钙中的氯容易与V2O5表面的氧结合，起到改性SCR催化剂的作用，而Hg0在改性后的V2O5表面可以生成稳定的 HgCl，其中 HgCl 一部分脱附到烟气中，一部分吸附在催化剂表面，有利于单质汞的氧化。
기우선택성최화환원(selective catalytic reduction，SCR)최화제대단질홍적양화수매중록함량적한제，제출이용록화개개성SCR최화제촉진단질홍적양화。재고정상실험태상연구료불동록화개첨가량하SCR최화제대단질홍적양화성능，진이이용기우밀도범함적이론방법계산료단질홍재최화제이급개성후적최화제표면적흡부행위。결과표명，단독적SCR최화제대단질홍적양화효과흔소，양화효솔부위7%，첨가1%적록화개후양화효솔제고도79%。진일보적이론계산표명，록화개중적록용역여V2O5표면적양결합，기도개성SCR최화제적작용，이Hg0재개성후적V2O5표면가이생성은정적 HgCl，기중 HgCl 일부분탈부도연기중，일부분흡부재최화제표면，유리우단질홍적양화。
ABSTRACT:As the oxidation of Hg0 by selective catalytic reduction(SCR) catalyst is restricted by the content chlorine in coal, the method using calcium chloride to modify SCR catalyst in order to improve the oxidation of elemental mercury was proposed. The influence of SCR catalyst containing different amount of calcium chloride on the oxidation of Hg0 was investigated experimentally. Adsorption behaviors of Hg0 on the surface of catalyst and modified-catalyst were calculated based on the density functional theory. The results show: Only 7 % of Hg0 can be oxidized with SCR catalyst, while 79 % can be oxidized with 1% calcium chloride addition. A further calculation indicates that the chloride in calcium chloride can combine with the oxygen on the surface of the V2O5 forming active sites, and Hg0adsorbs on chlorine-modified V2O5surface forming HgCl which escapes to the flue gas or strongly adsorbs on V2O5surface, which helps the oxidation of Hg0.