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The water content of a bentonite at low saturation (equal to high suction) defines the void ratio of the nano-scale porosity located in the clay interlayers and close to the clay grain surfaces. However, the measured suction curves should not be extrapolated straightforwardly to lower suction values, because, in that case, the presence of water in larger pores between aggregates can be non-negligible. This work analyses the use of data obtained from molecular dynamics models to assess the validity of such extrapolations, and defines the variables needed to compare the results from molecular dynamics and suction experiments. The encouraging agreement contributed to the confidence in the proposed procedure, which enabled a new strategy that uses molecular dynamics data to model the macroscopic behaviour of compacted sodium bentonites.

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