Modern strategies for PC-supported spectral analysis of 1D NMR data

 Analysis of high-resolution NMR spectra elucidation has been known for many years. Hard-and software development now permits the implementation of such programs on personal computers. The structural information hidden in complex proton NMR spectra becomes easily accessible by using graphical user interfaces and direct data exchange between programs. A new mode has been implemented in 1D WIN-NMR to support the analysis of multiplet patterns with first order rules. Structure display, direct export mechanisms to the simulation program WIN-DAISY, and an archiving possibility complete the state-of-the-art data analysis. Some practical examples are given. Received: 25 October 1996/Revised: 6 March 1997/Accepted: 10 March 1997     

Contactless Weighing Up to High Pressures For Analysing Adsorption And Density of Fluids

Adsorption of supercritical fluids methane, nitrogen and argon by active carbons was studied up to a pressure of 500 bar. A three-parameter isothermal equation was used to represent the adsorption equilibrium. This isothermal equation is based on a physical model conception which had already been used for the modelling of adsorption processes with a pressure up to 150 bar. Beside the exact knowledge of the measurable parameters pressure, temperature and fluid composition, the density of the adsorbate are essential for the evaluation of the adsorption analysis. The fluid density can be determined either via equations of state, which is normally the most practicable and fastest way, or via lift measurements of a lowering body in the fluid based on the principle of Archimedes. This work represents and discusses the question of to what extent the fluid density determined under real conditions via equations of state, using, for example, equation of Bender, corresponds to the fluid density measured under high-pressure. This revised version was published online in August 2006 with corrections to the Cover Date.     

Einsatz von deuterierten Molekülen zur Bestimmung von Selbstdiffusionskoeffizienten bei der Zweikomponentenadsorption in Zeolithen unter Anwendung der NMR-Meßtechnik

The nmr pulsed field gradient technique is an efficient tool for measuring molecular self-diffusion in sorplion systems. Applying alternatively perdeutcrated substances, in this way for the first lime the self-diffusion coefficients of the individual components at mullicomponent adsorption could be measured. Examples of self-diffusion results for mixtures of water, ammonia and liydrocarbons adsorbed on different types of zeolites are given.     

Application of the thermal frequency response method and of pulsed field gradient NMR to study water diffusion in zeolite NaX

The thermal frequency response and pulsed field gradient NMR methods are applied in a comparative study of water diffusion in zeolite NaX under non-equilibrium and equilibrium conditions. The obtained results are found to be in satisfactory agreement with each other, indicating that by applying the thermal frequency response method, complications due to uncontrolled water adsorption at the chamber walls inherent in conventional frequency response measurements may be circumvented.