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An extensive review and perspective article onÌýConnecting theory and simulation with experiment for the study of diffusion in nanoporous solidsÌýwith >500 references has just appeared in theÌýAdsorptionÌýjournal (SpringerNature, Open Access)Ìý:ÌýÌý.

The review was written byÌýProfessor Marc-Olivier CoppensÌý(Â鶹´«Ã½ÊÓƵÍøÕ¾), with DrÌýÌý²¹²Ô»åÌýÌý(Northwestern University, USA),Ìý(Hamburg University of Technology, Germany),ÌýÌý(ExxonMobil R&E, USA) andÌýÌý(ITQ, Universidad Politécnica de Valencia, Spain) and commissioned by IUPAC for a Special Issue onÌýDiffusion in Nanoporous SolidsÌýon the initiative of ProfessorÌýÌý(University of Leipzig, Germany).

Covering fundamentals of nano-confinement onÌýdiffusion in zeolites, metal-organic frameworks (MOFs), amorphous mesoporous materials, and hierarchically structured nanoporous materials, we survey historical and recent references, but also include our critical opinion on how to progress analytical theory and simulations for better experimental analysis, predicting diffusion under confinement and optimising transport in porous media.Ìý

There are no more excuses to use tortuosity as a "fudge factor", is one of the key conclusions of the paper!Ìý

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Within the context of the CNIE, the multiscale simulation and theoretical techniques described in the review are helpful to underpin nature-inspired designs of hierarchically structured porous materials for catalysis and separations – much of the work related to the CNIE’sÌýTheme 1Ìý(Hierarchical Transport Networks) andÌýTheme 2Ìý(Force Balancing and Nano-Confinement Effects).

It has taken significant effort to write this review. We hope that this will be a useful resource for many years to come.

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Reference:ÌýB.C. Bukowski, F.J. Keil, P.I. Ravikovitch, G. Sastre, R.Q. Snurr and M.-O. Coppens, 2021, Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids.ÌýAdsorption.Ìý