Showing papers by "Praveen K. Thallapally published in 2007"
TL;DR: These materials show potential for gas separation technology, display remarkable water transport through hydrophobic crystals, and clearly show that molecules within crystals are capable of cooperating with guests as they move through non-porous environments.
Abstract: Seemingly non-porous organic solids have the ability for guest transport and have also been shown to absorb gases, including hydrogen, methane and acetylene, to varied extents. These materials also show potential for gas separation technology, display remarkable water transport through hydrophobic crystals, and clearly show that molecules within crystals are capable of cooperating with guests as they move through non-porous environments. This work is presented within a broader topic which also encompasses crystal engineering and (microporous) metal-organic frameworks (MOF's).
411 citations
TL;DR: In this article, the uptake of carbon dioxide was studied in porous organic solid, p-tert-butylcalix[4]dihydroquinone, in which all calixarenes are self-assembled in a tubular fashion via strong hydrogen bonds.
Abstract: The uptake of carbon dioxide was studied in porous organic solid, p-tert-butylcalix[4]dihydroquinone, in which all calixarenes are self-assembled in a tubular fashion via strong hydrogen bonds. the BET surface area of porous material was found to be 230 m2/g. This represents another rare example in which purely organic crystals can be designed to store and separate gas mixtures.
116 citations
TL;DR: Sublimed, low-density ptert-butylcalix[4] absorb methane more readily at room temperature and 1 atm pressure than do either single wall carbon nanotubes (SWNT) or a comparative porous metalorganic framework (MOF-1) as discussed by the authors.
Abstract: Sublimed, low-density p-tert-butylcalix[4]arene absorbs methane more readily at room temperature and 1 atm pressure than do either single wall carbon nanotubes (SWNT) or a comparative porous metal–organic framework (MOF-1).
51 citations
TL;DR: The uptake of various nitrogen oxides was studied with the well known nonporous p-tert-butylcalix[4]arene under ambient conditions.
44 citations
TL;DR: In this article, the potential of mean force (PMF) and free energy perturbation approaches were employed to evaluate solute selectivity of CO2∕H2 with ptert-butylcalix[4]arene (TBC4) molecules.
Abstract: The interactions of CO2∕H2 with p-tert-butylcalix[4]arene (TBC4) were studied using potential of mean force (PMF) and free energy perturbation approaches. To the best of our knowledge, the present work is one of the first to employ the constrained mean force approach to evaluate solute selectivity by the TBC4 molecule. The computed PMFs for the interaction of CO2∕H2 with a single TBC4 molecule establish that the interaction of CO2 with the open end of the cage structure is attractive while the interaction with H2 is repulsive. Free energy perturbation calculations were performed for the same two guest molecules with a pair of facing TBC4 molecules used as a representative model as found in the TBC4 molecular solid. At low temperature, both CO2∕H2 have favorable interactions with the TBC4 pair, with the CO2 interaction being considerably greater. These results are in agreement with recent experimental data showing considerable CO2 uptake by TBC4 at moderate pressures.
13 citations
TL;DR: In this article, non-porous organic solids have the ability for guest transport and have also been shown to absorb gases, including hydrogen, methane and acetylene, to varied extents.
Abstract: Seemingly non-porous organic solids have the ability for guest transport and have also been shown to absorb gases, including hydrogen, methane and acetylene, to varied extents. These materials also show potential for gas separation technology, display remarkable water transport through hydrophobic crystals, and clearly show that molecules within crystals are capable of cooperating with guests as they move through non-porous environments. This work is presented within a broader topic which also encompasses crystal engineering and (microporous) metal-organic frameworks (MOF's).
1 citations