Kerogen-rich shale reservoirs will play a key role during
the energy
transition, yet the effects of nanoconfinement on the NMR relaxation
of hydrocarbons in kerogen are poorly understood. We use atomistic
MD simulations to investigate the effects of nanoconfinement on the 1H NMR relaxation times T
1 and T
2 of heptane in kerogen. In the case of T
1, we discover the important role of confinement
in reducing T
1 by ∼3 orders of
magnitude from that of bulk heptane, in agreement with measurements
of heptane dissolved in kerogen from the Kimmeridge Shale, without
any models or free parameters. In the case of T
2, we discover that confinement breaks spatial isotropy and
gives rise to residual dipolar coupling which reduces T
2 by ∼5 orders of magnitude from the value for
bulk heptane. We use the simulated T
2 to
calibrate the surface relaxivity and thence predict the pore-size
distribution of the organic nanopores in kerogen, without additional
experimental data.