The ubiquity of metal–organic frameworks in recent scientific literature underscores their
highly versatile nature. MOFs have been developed for use in a wide array of applications …

Nanoporous solids are ubiquitous in chemical, energy, and environmental processes, where
controlled transport of molecules through the pores plays a crucial role. They are used as …

The dynamic properties of adsorbed molecules play a central role in reactions and
separations that take place within the cavities of zeolites and other shape-selective …

Zeolites are intriguing materials. The basic building blocks are corner sharing TO4 units,
where the T-atoms usually refer to Si, Al, or in some cases also P. These tetrahedrals can …

Written by two specialists with over twenty-five years of experience in the field, this valuable
text presents a wide range of topics within the growing field of nonequilibrium molecular …

Tailoring of porous materials involves not only chemical synthetic techniques for tailoring
microscopic properties such as pore size, pore shape, pore connectivity, and pore surface …

We report atomistic simulations for both self-and transport diffusivities of light gases in
carbon nanotubes and in two zeolites with comparable pore sizes. We find that transport …

Zeolite membranes have uniform, molecular-sized pores, and they separate molecules
based on differences in the molecules' adsorption and diffusion properties. Zeolite …

During the past decade, gas recovered from shale reservoirs has jumped from 2 to 40% of
natural gas production in the United States. However, in response to the drop of gas prices …

Cassandra is an open source atomistic Monte Carlo software package that is effective in
simulating the thermodynamic properties of fluids and solids. The different features and …