Numerical simulation of the charge balance and temperature evolution in an electron beam ion trap

A computer code has been developed to simulate and study the evolution of ion charge states inside the trap region of an electron beam ion trap. In addition to atomic physics phenomena previously included in similar codes such as electron impact ionization, radiative recombination, and charge exchange, several aspects of the relevant physics such as dielectronic recombination, ionization heating, and ion cloud expansion have been included for the first time in the model. The code was developed using object oriented concepts with database support, making it readable, accurate, and well organized. The simulation results show a good agreement with various experiments, and give useful information for selection of operating conditions and experiment design.

Boson pairs in a one-dimensional split trap

We describe the properties of a pair of ultracold bosonic atoms in a one-dimensional harmonic trapping potential with a tunable zero-ranged barrier at the trap center. The full characterization of the ground state is done by calculating the reduced single-particle density, the momentum distribution, and the two-particle entanglement. We derive several analytical expressions in the limit of infinite repulsion (Tonks-Girardeau limit) and extend the treatment to finite interparticle interactions by numerical solution. As pair interactions in double wells form a fundamental building block for many-body systems in periodic potentials, our results have implications for a wide range of problems.

Low-energy excitations of a boson pair in a double-well trap

The states of a boson pair in a one-dimensional double-well potential are investigated. Properties of the ground and lowest excited states of this system are studied, including the two-particle wave function, momentum pair distribution, and entanglement. The effects of varying both the barrier height and the effective interaction strength are investigated.

Investigation into mercury bound to biothiols:structural identification using ESI-ion-trap MS and introduction of a method for their HPLC separation with simultaneous detection by ICP-MS and ESI-MS

Mercury in plants or animal tissue is supposed to occur in the form of complexes formed with biologically relevant thiols (biothiols), rather than as free cation. We describe a technique for the separation and molecular identification of mercury and methylmercury complexes derived from their reactions with cysteine (Cys) and glutathione (GS): Hg(Cys)(2), Hg(GS)(2), MeHgCys, MeHgGS. Complexes were characterised by electrospray mass spectrometry (MS) equipped with an ion trap and the fragmentation pattern of MeHgCys was explained by using MP2 and B3LYP calculations, showing the importance of mercury-amine interactions in the gas phase. Chromatographic baseline separation was performed within 10 min with formic acid as the mobile phase on a reversed-phase column. Detection was done by online simultaneous coupling of ES-MS and inductively coupled plasma MS. When the mercury complexes were spiked in real samples (plant extracts), no perturbation of the separation and detection conditions was observed, suggesting that this method is capable of detecting mercury biothiol complexes in plants.

Hydrolysis characteristics and kinetics of waste hay biomass as a potential energy crop for fermentable sugars production using autoclave parr reactor system

The use of the organic fraction of municipal solid waste crops has received considerable attention as a sustainable feedstock that can replace fossil fuels for the production of renewable energy. Therefore, municipal bin-waste in the form of hay was investigated as a potential energy crop for fermentable sugars production. Hydrolysis of hay by dilute phosphoric acid was carried out in autoclave parr reactor, where reactor temperature (135-200 degrees c) and acid concentration (2.5-10% (w/w)) were examined. Analysis of the decomposition rate of hemicellulosic biomass was undertaken using HPLC of the reaction products. Xylose production reached a maximum value of 13.5 g/100 g dry mass corresponding to a yield of 67% at the best identified conditions of 2.5 wt% H3PO4, 175 degrees C, 10 min reaction time, and at 5 wt% H3PO4, 150 degrees C, and 5 min reaction time. For glucose, an average yield of 25% was obtained at 5 wt% H3PO4, 175 degrees C and 30 min. Glucose degradation to HMF was achieved at 10 wt% H3PO4 and 200 degrees C. The maximum yield for produced arabinose was an average of 3 g/100 g dry. mass corresponding to 100% of the total possible arabinose. The kinetic study of the acid hydrolysis was also carried out using the Saeman and the Two-fraction models. It was found for both models that the kinetic constants (k) depend on the acid concentration and temperature. For xylose and arabinose it was found that the rate of formation was more favoured than the rate of degradation. By contrast, for glucose it was found that glucose degradation was occurring faster than glucose formation. It can be concluded that dilute phosphoric acid hydrolysis of hay crop is feasible for the production of fermentable sugars which are essential for bioethanol synthesis. 

Controlling the Sulfur Poisoning of Ag/Al2O3 Catalysts for the Hydrocarbon SCR Reaction by Using a Regenerable SOx Trap

The deactivation of a silver-based hydrocarbon selective catalytic reduction catalyst by SOx and the subsequent regeneration under various operating conditions has been investigated. Using a sulfur trap based on a silica-supported catalyst it was found that, for a Ag/SiO2 + Ag/Al2O3 combination, the negative effect of SO2 on the n-octane-SCR reaction can be eliminated under normal operating conditions. The trap can be regenerated by hydrogen at low temperatures or at higher temperatures using a hydrocarbon reductant.

Regeneration mechanism of a Lean NOx Trap (LNT) catalyst in the presence of NO investigated using isotope labelling techniques

The presence of NO during the regeneration period of a Pt-Ba/Al O Lean NO Trap (LNT) catalyst modifies significantly the evolution of products formed from the reduction of stored nitrates, particularly nitrogen and ammonia. The use of isotope labelling techniques, feeding NO during the storage period and NO during regeneration allows us to propose three different routes for nitrogen formation based on the different masses detected during regeneration, i.e. N (m/e = 28), N N (m/e = 29) and N (m/e = 30). It is proposed that the formation of nitrogen via Route 1 involves the reaction between hydrogen and NO released from the storage component to form NH mainly. Then, ammonia further reacts with NO located downstream to form N . In Route 2, it is postulated that the incoming NO reacts with hydrogen to form NH in the reactor zone where the trap has been already regenerated. This isotopically labelled ammonia travels through the catalyst bed until it reaches the regeneration front where it participates in the reduction of stored nitrates ( NO ) to form N N. The formation of N via Route 3 is believed to occur by the reaction between incoming NO and H . The modification of the hydrogen concentration fed during regeneration affects the relative importance of H or NH as reductants and thus the production of N via Route 1 and N N via Route 2.