A stable numerical method for the solution of the adsorption integral equation (SAIEUS) is proposed. The method combines regularization principle with the B-spline representation of the distribution function. Such a representation is convenient and in the case of smooth functions requires fewer variables as compared to the discreet representation. The stability of the solution is imposed by the regularization method. The inherent problem of the method, which is the choice of the optimal degree of smoothing, is solved using a comprehensive analysis of the variance of the solution and the effective bias due to the smoothing effect. This approach ensures that the chosen solution contains all the information which can be extracted from the data while the artifacts are excluded. The problem of the resolution of the method and the accuracy of the solution in context of the error in the data and the complexity of the true adsorption energy distribution are discussed using several simulated examples of adsorption isotherms.
Cryoadsorption is a promising method of enhancing gravimetric and volumetric onboard H 2 storage capacity for future transportation needs. Inexpensive carbide-derived carbons (CDCs), produced by chlorination of metal carbides, have up to 80 % open-pore volume with tunable pore size and specific surface area (SSA). Tuning the carbon structure and pore size with high sensitivity by using different starting carbides and chlorination temperatures allows rational design of carbon materials with enhanced C-H 2 interaction and thus increased H 2 storage capacity. A systematic experimental investigation of a large number of CDCs with controlled pore size distributions and SSAs shows how smaller pores increase both the heat of adsorption and the total volume of adsorbed H 2 . It has been demonstrated that increasing the average heat of H 2 adsorption above 6.6 kJ mol -1 substantially enhances H 2 uptake at 1 atm (1 atm = 101 325 Pa) and -196 °C. The heats of adsorption up to 11 kJ mol -1 exceed values reported for metal-organic framework compounds and carbon nanotubes. Cryo-adsorption is a promising method of enhancing gravimetric and volumetric onboard H 2 storage capacity for the future transportation needs. Inexpensive carbide-derived carbons (CDC), produced by chlorination of metal carbides, have up to 80% open pore volume with tunable pore size and specific surface area (SSA). Tuning the carbon structure and pore size with high sensitivity by using different starting carbides and chlorination temperatures allows rational design of carbon materials with enhanced C-H 2 interaction and thus increased hydrogen storage capacity. Systematic experimental investigation of a large number of CDC with controlled pore size distributions and SSA show how smaller pores increase both the heat of adsorption and the total volume of adsorbed H 2 . It has been demonstrated that increasing the average heat of H 2 adsorption above 6.6 kJ/mol substantially enhances H 2 uptake at 1 atm and -196 o C. The heats of adsorption up to 11 kJ/mol exceed values reported for metal-oxide framework compounds and carbon nanotubes.
Farha and colleagues have developed a strategy for expanding the pore apertures of csq-net Zr-based MOFs to obtain an isoreticular series of MOF structures with pore apertures ranging from 3.3 to 6.7 nm. Enzymes immobilized in the MOF are accessible to coenzymes and show higher activity than that of the free enzymes.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.