Abstract
A rotating slit pore motif yields a non-porous to porous structural transition without a change in unit cell volume.
Highlights
We describe a flexible slit pore model that provides a physical basis for designing high deliverable capacity materials, whereby an “ideal” material could translate most of the adsorption capacity to deliverable capacity
Mapping the model’s deliverable capacity (DC) to a volumetric basis provides useful insights into the maximum achievable DC in intrinsically flexible materials and whether such a material could exceed the performance of the current benchmark systems
This plot summarizes the fundamental limitation of gas storage in rigid materials, and, even for the record methane storage in rigid materials, the deliverable capacity is ∼ 30% less than the adsorption capacity at 65 bar.[22]
Summary
The economic viability of gas storage technologies for cleaner vehicle transportation hinges on materials with sufficiently large deliverable capacity, defined as the difference in gas loading between the charging and discharging pressures.[1,2,3,4] There have been concerted efforts to understand the physical limit of deliverable capacity in porous materials, especially within the applications of hydrogen and methane storage.[5,6,7,8] We will provide evidence that, through a carefully designed analytical model and corroborating calculations on known materials, the deliverable capacities of today’s benchmark materials still have not reached a fundamental limit if intrinsic flexibility can be deftly exploited. For Leq > 9 Å, our site discretization approximations break down (see later results in Figure 7); regardless, flexible slit pore isotherms approaching this regime have already recovered their Langmuirian behavior because even the rotated state is porous and can’t suppress the low pressure uptake necessary to drastically enhance DC.
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