Increased Number of State-of-the-art Pore Size Calculations now Available
Quantachrome's software program ASWin ver. 1.51 now includes thirteen calculation models based on state-of-the-art statistical mechanics (Density Functional Theory and Monte Carlo) in addition to eight classical methods. The growing list of DFT methods in the ASWin library allows this powerful method to be applied to some of the most technologically important porous adsorbents.
The tremendous progress made in recent years in materials science and technology has produced a variety of structured porous materials for which the classical pore size methods no longer hold true. Through its collaboration with scientists at TRI Princeton, Quantachrome offers software that is able to yield accurate pore size data for materials of different chemistry (carbon or oxidic) and pore geometry (cylindrical, spherical, slit, mixed), and for different measurement conditions (N2, Ar, CO2 at different temperatures). The full list of statistical mechanics-based calculations is given below. This latest version of the ASWin program (XP and Windows 2000 compatible) is shipped as standard with all new micropore and chemi-Autosorb instruments and is available to existing users who wish to upgrade their pore size calculation capabilities. ASWin ver. 1.51 retains the user-friendly, intuitive interface with easy-to-access menus, graph overlays for direct comparison of different samples, and full editing functions.
Full list of statistical mechanics-based calculations
N2 at 77 K on carbon (slit pore, NLDFT equilibrium model)
N2 at 77 K on carbon (cylindrical pore, NLDFT equilibrium model)
N2 at 77 K on carbon (slit/cylindrical pore, NLDFT equilibrium model)
Ar at 77 K on carbon (slit pore, NLDFT equilibrium model)
Ar at 87 K on carbon (cylindrical pore, NLDFT equilibrium model)
CO2 at 273 K on carbon (slit pore, NLDFT equilibrium model)
N2 at 77 K on silica (cylindrical pore, NLDFT equilibrium model)
N2 at 77 K on silica (cylindrical pore, NLDFT adsorption branch model)
Ar at 87 K on zeolites/silica (spherical/cylindrical pore, NLDFT equilibrium model)
Ar at 87 K on zeolites/silica (spherical/cylindrical pore, NLDFT adsorption branch model)
Ar at 87 K on zeolites/silica (cylindrical pore, NLDFT equilibrium model)
Ar at 87 K on zeolites/silica (cylindrical pore, NLDFT adsorption branch model)
CO2 at 273 K on carbon (slit pore, MC equilibrium model)
This latest software release confirms Quantachrome's lead in the commercialization of advanced calculation models for the porous materials community.
