基于密度泛函的活化半焦脱除SO_2和NO吸附势计算.pdf
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25 1 V o l25 N o1
200 8 2 M odern Electric Pow er F eb 200 8
: 10072 322( 2008) : A : T K 16
SO NO
2
邢德山 阎维平 黄景立
( ( ) 07100 3)
Calculation of the Absorption Potentials of SO and NO on Activated
2
Semicokes Based on Density Functional Theory
Xing Desh an Y an Weip ing H u ang J ing li
( K ey L abor ator y of Conditio n M onito ring and Co nt ro l f or Po w er Plant Equipm ent ( N o rth China
Elect ric Po w er U niver sity) M inislry o f Edu cation Baoding 07100 3 China)
: SO2 [ 2]
SO2 N Ox
NO : SO2
NO SO2
SO2 N Ox
NO SO ;
2
;
[ 3]
SO2
N Ox SO2 N Ox
N Ox
: ; ; ; SO 2 ; N O SO2 N Ox
Abstract T he abso rptio n po tentials o f SO2 and N O a t dif
f er ent po r e diameter s or tempera tur es ar e calcula ted. DF T
theor etical calcula tio ns sho w tha t the a
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