The influence of branching isomerization on the product distribution obtained during cracking of n-heptane on acidic zeolites

The initial selectivities for the primary products occurring during the cracking of n-heptane on a rare-earth (RE)-HY ultrastable zeolite up to 470°C have been calculated. The activation energies for the cracking of n-heptane and its branched isomers in the fraction C4 + C3 have been obtained by molecular orbital calculations, and these values and the predicted product distribution have been compared with those obtained experimentally. It is concluded that the cracking of n-heptane on large-pore zeolites may take place by different parallel routes involving protolytic and β-cracking of n-heptane and β-cracking of the readily formed branched carbenium ions. The relative importance of these three routes depends on the Brønsted/Lewis acid site ratio, acid strength distribution and geometrical factors of the cracking catalyst.