As part of the DOE-sponsored liquid phase methanol process development program (Contract No. DE-ACZZ-87PC90005), the present study (Task 3.8) evaluated adsorptive schemes to remove catalyst poisons from coal gas at pilot scale. In addition to a lab test with coal gas from Coolwater. two field tests were performed at Great Plains with live coal gas. In the lab test with Coolwater gas, iron carbo...

We show that simulation of gas adsorption in nanoporous sorbents may be highly sensitive to accurate crystallographic coordinates, even for frameworks anticipated to have low flexibility.

The global atmospheric distribution and long-range transport (LRT) potential of three polycyclic aromatic hydrocarbons (PAH) - anthracene, fluoranthene and benzo[a]pyrene - are studied. The model used is a global aerosol-chemistry-transport-model, which is based on an atmospheric general circulation model. The model includes an in-built dynamic aerosol model coupled to two-dimensional surface c...

Much attention has recently been focused on soft porous crystals, a fascinating subclass of metal−organic frameworks that behave in a remarkable stimuliresponsive fashion, presenting structural changes of large amplitude in response to guest adsorption, mechanical pressure, or variations in temperature. In this Perspective, we summarize the recently developed thermodynamic and mechanical theore...

Quantum chemistry calculations were performed to investigate the effect of the surface curvature of a Boron Nitride (BN) nanotube/nanosheet on gas adsorption. Curved boron nitride layers with different curvatures interacting with a number of different gases including noble gases, oxygen, and water on both their convex and concave sides of the surface were studied using density functional theory...