A pseudospectral algorithm has been used to compute solutions u(x,t), A(x,t), B(x,t), and R(x,t)
to one-dimensional equations of change incorporating the simple reaction A + B → R for
statistically homogeneous random velocity and partially premixed reactant concentration fields.
An initial turbulence Reynolds number of 400 has been used, together with Damköhler numbers
of 102 and 103 for fast reactions and Schmidt numbers of 10-3, 1, and 102 to span a wide range
of diffusivities. Evolving concentration profiles inform intuition in general and provide insight
into the evolution of the single-point statistical measures in particular: 〈A〉, 〈B〉, 〈a
2〉, 〈b
2〉, 〈ab〉,
〈ab〉/〈A〉〈B〉, and 〈a
2
b〉. There is a pronounced effect of Da on all the statistical properties, but
for a given value of Da, 〈A〉, 〈B〉, 〈ab〉/〈A〉〈B〉 (t), and 〈a
2
b〉 are identical for Sc = 1 and 102 and
virtually so for Sc = 10-3 as well, whereas 〈a
2〉, 〈b
2〉, and 〈ab〉 evolve differently for Sc = 10-3
than for Sc = 1 and 102. Comparisons between different single-point closures for nonpremixed
turbulent reactions and the present partially premixed results have been made. As was found
by Leonard et al. in three dimensions for a slower nonpremixed reaction (Ind. Eng.
Chem. Res.
1995, 34, 3640−3652), it is found that Toor's closure (Ind. Eng. Chem. Fundam. 1969, 8, 655−659) comes closest to agreement with our direct numerical simulations of 〈ab〉(t) in one dimension
for a faster partially premixed reaction. We propose a closure for partially premixed reactions
that incorporates a reaction segregation effect which yields improved agreement with our
simulations of 〈ab〉(t).