Surface interactions and nanoconfinement of methane and methane plus co2 revealed by high-pressure magic angle spinning nmr spectroscopy and molecular dynamics

HIGHLIGHTS

SUMMARY

MD simulations have also been used to study the structure-dynamics correlations in methane confined in silica pores. Thecoefficient fraction ofinmolecules this layer being higher in the undulated the the higherin surface-to-volume pore is smaller compared pore, to athe pore of thediffusion same sizecoefficient with smooth surfaces hence a smaller surface-to-volume ratio. overall in the higherand surface-to-volume pore is smaller compared to a pore of the same size with smooth surfaces and hence a smaller surface-to-volume ratio. The change in the isotropic chemical shift positions of . . .

 



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