首页|Computational study of the gas-phase reactions of sulfuric acid with OH ((2)pi(J)), O(P-3(J)), Cl(P-2(J)) and O(D-1(2)) radicals
Computational study of the gas-phase reactions of sulfuric acid with OH ((2)pi(J)), O(P-3(J)), Cl(P-2(J)) and O(D-1(2)) radicals
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NSTL
Elsevier
Rate coefficients for reactions of H2SO4 with OH, O(P-3) and Cl radicals over 160-298 K were estimated computationally. We propose k(OH) = 8.5 x 10(-14) exp(-50 K/T), k(O) = 1.1 x 10(-12) exp(-5012 K/T) and k(Cl) = 3.1 x 10(-9) exp(-3314 K/T) cm(3) molecule(-1) s(-1). One product of the H-atom abstraction reactions, and likely from reaction of H2SO4 with O(D-1) too, is the HOSO3 radical which may also be formed via OH + SO3 addition, with k(0)(N-2) = 7.3 x 10(-30) (T/298K)(-2.64) cm(6) molecule(-2) s(-1) and k(infinity) = 4.7 x 10(-10) (T/298 K)(0.167) cm(3) molecule(-1) s(-1).
NSTL
Elsevier
