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The advantage of geometric simulation, as a complement to conventional methods, is that it focuses attention on geometric features of the framework behavior that would otherwise be obscured.
Modified from [13] Open image in new window Fig. 2 P V data for analcime (green triangles) and pollucite (red squares) annotated with results of geometric simulation.
Open image in new window Fig. 1 P V data for wairakite (blue diamonds) and leucite (brown circles) annotated with results of geometric simulation.
Moreover, a detailed two-dimensional visualization of such interface is achieved via geometric simulation of water droplets formation, growth, coalescence and detachment on the surface of the GDL.
Using a simple geometric simulation of the monolithic structure, steady-state heat balances are written separately for the solid and gas phases of the simulated monolith.
Using geometric simulation to analyse compression data on analcime, we found that the range of densities over which the ambient (cubic) crystal structure persists matches the range of the flexibility window.
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Geometric simulations revealed some unusual features of these behaviors.
Geometric simulations for wairakite, which displays Al/Si ordering, match the experimental data when ordering is included but not when a uniform average T O distance is used [13].
Geometric simulations, to determine whether a compressed structure lies within its flexibility window, can be carried out given the structure under ambient conditions and the cell parameters under pressure, even if detailed refinement of the crystal structure under pressure is not possible.
Insight into these motions can be obtained in reciprocal space through the 'rigid unit mode' (RUM) model, and in real-space through template-based geometric simulations.
Constrained geometric simulations support the view that mutations introduced in the portal region are associated with global changes in protein mobility and receptor conformation.
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