. 2020 May 29;5(22):12923–12936. doi: 10.1021/acsomega.0c00683

Table 2. Hydrogenation Reactor Model Equation and Boundary Conditions^14,24,25,29.

mass balance equation	formula
gaseous compounds (i = H₂, H₂S)
gaseous compounds in liquid phase (i = H₂, H₂S)
organic sulfur in liquid phase
consumption or production by chemical reaction for H₂, H₂S, and organic sulfur	k_H₂^Sa_S(C_H₂ – C_H₂^S) = ρ_Bη_HDSr_HDSk_H₂Sa_S(C_H₂S^L – C_H₂S) = – ρ_Bη_HDSr_HDSk_sul^Sa_S(C_sul – C_sul^S) = ρ_Bη_HDSr_HDS
boundary conditions	C_H₂^L(z = 0) = C_H₂(initial) C_H₂S^L(z = 0) = 0 C_sul(z = 0) = C_sul^L(initial) P_H₂(z = 0) = P_H₂^G(initial) P_H₂S(z = 0) = 0
Chemical reaction rates equations
HDS
HDS

Table 2. Hydrogenation Reactor Model Equation and Boundary Conditions14,24,25,29.