Table 3. Upper Bounds of Diffusion Coefficients of the Heptane Isomers in the Straight Channels of ZSM-5 Zeolite, Computed with Transition State Theory.

	diffusion coefficients (m2·s–1)
C7 isomer	207 °C	255 °C	294 °C	387 °C
n-heptane	4.3 × 10–8	4.2 × 10–8	4.2 × 10–8	4.1 × 10–8
2-methylhexane	1.1 × 10–10	2.0 × 10–10	3.1 × 10–10	6.1 × 10–10
3-methylhexane	1.8 × 10–11	3.0 × 10–11	4.9 × 10–11	9.7 × 10–11
2,2-dimethylpentane	1.1 × 10–17	9.4 × 10–17	4.5 × 10–16	3.9 × 10–15
2,3-dimethylpentane	1.3 × 10–14	4.1 × 10–14	8.2 × 10–14	3.3 × 10–13
2,4-dimethylpentane	5.0 × 10–12	1.0 × 10–11	1.9 × 10–11	4.4 × 10–11
3,3-dimethylpentane	3.5 × 10–18	1.8 × 10–17	9.8 × 10–17	9.5 × 10–16