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. 2023 Nov 3;14(47):13783–13798. doi: 10.1039/d3sc04186g

Model equations to simulate the ARC test. They have been adopted from Baakes et al.4Ω is denoted as the set of species (SP), reactions (RE), a subset of species i participating in reaction j (U), gaseous species (G), liquid species (L), and solid species (S).

Description Equation No.
Species balance graphic file with name d3sc04186g-t2.jpg (1)
Reaction kinetics graphic file with name d3sc04186g-t3.jpg (2)
graphic file with name d3sc04186g-t4.jpg (3)
graphic file with name d3sc04186g-t5.jpg (4)
graphic file with name d3sc04186g-t6.jpg (5)
graphic file with name d3sc04186g-t7.jpg (6)
graphic file with name d3sc04186g-t8.jpg (7) and (8)
ΔrGj(T) = ΔrHj(T) − TΔrSj(T), ∀j ∈ {CSD, PFD} (9)
Energy balance graphic file with name d3sc04186g-t9.jpg (10)