Studies on adsorption equilibrium of xylenes in AEL framework using biased GCMC and energy minimization

The adsorption of xylene isomers in AlPO₄-11 (AEL network) was investigated using biased grand canonical Monte Carlo (GCMC) simulations. Preferential o-xylene adsorption was predicted by the simulations, in agreement with previously reported experimental data. In AlPO₄-11 the selective adsorption behavior comes from the smaller length of the o-xylene molecule along the crystallographic c-axis compared to p-xylene. This is in contrast to AlPO₄-5 and AlPO₄-8, where the ortho-selectivity is caused by the characteristic face-to-face positioning of o-xylene. Energy minimization studies were also performed in a flexible AlPO₄-11 lattice to study the structural changes upon xylene adsorption. The energy minimization study showed that the AlPO₄-11 crystal distorts upon p- and o-xylene adsorption. The distortion mechanism is related to the strong interaction between xylene methyl groups and the sieve oxygen atoms in the O3 position in the wide region of the pore.     

Metalloporphyrins in Oxidative Catalysis. Oxygen Transfer Reactions of Oxochromium Porphyrins

The oxidation of chloro-5-10,15,20-tetramesitylporphyrinotoiron(III) with peroxyacids affords a reactive oxoiron(IV)-porphyrin cation radical species 2. The characterization of 2 and its oxochromium analogs 3, 4 and 5 are reviewed. The nature of reactive oxochromium species derived from chromyl reagents is also reviewed. The oxidation of triphenylphosphine by CrOTPP (11), CrOTTP (13) and CrOTMP (14) is described. Variations in the rate constants indicate that steric factors affect the rate of oxygen atom transfer. Activation parameters for the oxidation of triphenylphosphine by 14 are ΔH^≠ = 6.96 kcal/mol and ΔS^≠ = −39 eu. The oxidation of t-butylphenylcarbinol (18) by CrOTPP gave predominantly benzaldehyde via carbon—carbon bond cleavage while the chromium(III) porphyrin-catalyzed oxidation of 18 by iodosylbenzene afforded t-butylphenylketone.     

Reminiscence: diffraction and the mountains of Alaska

Discusses, from a personal point of view, experiments carried out to study the diffraction and propagation of VHF, HF and MF radio waves in the early-mid 1950s in the mountains of Alaska     

Adiabatic couplers: design rules and optimization

Explicit analytic design rules are derived for both 3 dB and full adiabatic couplers. The design rules are in excellent agreement with numerical calculations using the beam propagation method (BPM). It is shown that the length scaling for 3 dB couplers compared to full couplers makes the former more difficult to design. The design for each case is optimized to obtain the upper limit of performance and a comparison is carried out between two different design geometries for both 3 dB and full adiabatic couplers     

Reactivity of steam in exhaust gas catalysis III. Steam and oxygen/steam conversions of propane on a Pd/Al2O3 catalyst

A 1% Pd catalyst (38% dispersion) was prepared by impregnating a γ-alumina with palladium acetylacetonate dissolved in acetone. The behaviour of this catalyst in oxidation and steam reforming (SR) of propane was investigated. Temperature-programmed reactions of C₃H₈ with O₂ or with O₂ + H₂O were carried out with different stoichiometric ratios S(S =[O₂]/5[C₃H₈]). The conversion profiles of C₃H₈ for the reaction carried out in substoichiometry of O₂ (S < 1) showed two discrete domains of conversion: oxidation at temperatures below 350°C and SR at temperatures above 350°C. The presence of steam in the inlet gases is not necessary for SR to occur: there is sufficient water produced in the oxidation to form H₂ and carbon oxides by this reaction. Contrary to what was observed with Pt, an apparent deactivation between 310 and 385°C could be observed with Pd in oxidation. This is due to a reduction of PdO_x into Pd⁰, which is much less active than the oxide in propane oxidation. Steam added to the reactants inhibits oxidation while it prevents the reduction of PdO_x into Pd⁰. Compared to Pt and to Rh, Pd has a higher thermal resistance: no deactivation occurred after treatment up to 700°C and limited deactivation after treatment up to 900°C, provided that the catalyst is maintained in an oxygen-rich atmosphere during the cooling.     

Analysis of thin walled structures using the boundary element method

In this article the direct boundary element formulations of stretching and bending plate problems are combined together to solve thin walled structures and other similar frames. The final system is obtained by assuming each individual plane structural element as a subregion. After the necessary transforms of these equations they can be combined together taking into account the displacement compatibility and equilibrium conditions.     

Power engineering industry interaction at Clemson University

The authors present a successful model of industry/university cooperation in establishing a strong power system curriculum in both the graduate and undergraduate level. Numerous long-term and short-term research projects have been developed to satisfy the university mission and to tackle challenging problems facing the power industry. A unique structure for the Clemson University Electric Power Research Association (CUEPRA) has been established to promote electric power system research and to meet the need for a working communication link between the power industry and the academic community. The power industries involvements in the power program at Clemson University and the strategic improvements that have been accomplished in research and education are outlined     

Response spectrum analysis of piping systems with elastic-plastic gap supports

A new seismic support device and its application in piping systems is described. The device, E-BAR (patented), can be cost effectively used for snubber replacement programs, mitigation of hydraulic transients, pipe whip and as a thermal stop. The device has pre-set gaps to allow free thermal movement. During a seismic or other dynamic load event, if the pipe movement exceeds the gap dimension, the device acts as an elastic or elastic-plastic restraint. The device also has a unique design feature for not exceeding the restraint force beyond a specified limit design value. To analyze piping systems with gap supports having elastic-plastic characteristics, modal analysis procedures for both response spectrum and time history methods are developed. The comparison of responses obtained from the procedures with nonlinear time history analysis and test results available in the literature shows excellent correlation. A pilot program conducted for snubber replacement with E-BARs demonstrates that the limit force feature of E-BAR makes them very attractive for snubber replacement. This is because a particular E-BAR with a specified limit design force can be selected, such that, the E-BAR replacing the snubber does not require any modifications be made to the existing support steel and hardware.