The first paper in this series presented the results of equilibrium calculations for the competition between the hydrogenation of naphthalene to form tetralin and decalin (Reactions 1-2) and the condensation of naphthalene with o-xylene to form chrysene (Reaction 3). This set of reactions was proposed as a simple model for the coke-induced deactivation of hydrotreating catalysts.

Saturation (Reversible)

1. Naphthalene (C₁₀H₈) + 2H₂  ↔  Tetralin (C₁₀H₁₂)

2. Tetralin + 3H₂  ↔  Decalin (C₁₀H₁₈)

Condensation (Irreversible)

3. Naphthalene + o-Xylene  →  Chrysene (C₁₈H₁₂) + 3H₂

4. Chrysene  → → →  Coke + xH₂

This paper shows the effect of adding a hydrocracking reaction (Reaction 5).

Hydrocracking (Irreversible)

5. Tetralin + H₂  →  1-propyl-2-methyl benzene (C₁₀H₁₄)

In addition, for all reactions the thermochemical effects of hydrogen purity at constant total pressure are computed, along with the effects of excess hydrogen, i.e., “gas-to-oil ratio.”