Mechanistic studies of methane partial oxidation to syngas over LiNiLaOx/Al2O3 catalyst

Temperature-programmed reduction (TPR) characterization of the LiNiLaOx/Al2O3 catalyst before or after partial oxidation of methane (POM) reaction and a series of O-2, CH4 and CH4/O-2 pulse reaction experiments over the catalyst under different pretreatments were performed. It was found that CH4 dissociatively adsorbs on active center nickel producing H-2 and surface carbon, C(a). The surface carbon reacts with surface lattice oxygen or surface adsorbed oxygen to produce CO. Because the activation barrier for the reaction C(a)+ O(a) =CO(a) is the highest among all the elementary reactions, the rate-determining step of the POM may be the reaction C(a) + O(a) =CO(a).

Compiling Scientific Code Using Partial Evaluation

Scientists are faced with a dilemma: either they can write abstract programs that express their understanding of a problem, but which do not execute efficiently; or they can write programs that computers can execute efficiently, but which are difficult to write and difficult to understand. We have developed a compiler that uses partial evaluation and scheduling techniques to provide a solution to this dilemma.

Exploiting the Parallelism Exposed by Partial Evaluation

We describe an approach to parallel compilation that seeks to harness the vast amount of fine-grain parallelism that is exposed through partial evaluation of numerically-intensive scientific programs. We have constructed a compiler for the Supercomputer Toolkit parallel processor that uses partial evaluation to break down data abstractions and program structure, producing huge basic blocks that contain large amounts of fine-grain parallelism. We show that this fine-grain prarllelism can be effectively utilized even on coarse-grain parallel architectures by selectively grouping operations together so as to adjust the parallelism grain-size to match the inter-processor communication capabilities of the target architecture.

Partial Evaluation for Scientific Computing: The Supercomputer Toolkit Experience

We describe the key role played by partial evaluation in the Supercomputer Toolkit, a parallel computing system for scientific applications that effectively exploits the vast amount of parallelism exposed by partial evaluation. The Supercomputer Toolkit parallel processor and its associated partial evaluation-based compiler have been used extensively by scientists at M.I.T., and have made possible recent results in astrophysics showing that the motion of the planets in our solar system is chaotically unstable.

A Parallelizing Compiler Based on Partial Evaluation

We constructed a parallelizing compiler that utilizes partial evaluation to achieve efficient parallel object code from very high-level data independent source programs. On several important scientific applications, the compiler attains parallel performance equivalent to or better than the best observed results from the manual restructuring of code. This is the first attempt to capitalize on partial evaluation's ability to expose low-level parallelism. New static scheduling techniques are used to utilize the fine-grained parallelism of the computations. The compiler maps the computation graph resulting from partial evaluation onto the Supercomputer Toolkit, an eight VLIW processor parallel computer.

Partial oxidation of methane over the perovskite oxides

Ba0.5Sr0.5Co0.8Fe0.2O3-delta and Ba0.5Sr0.5Co0.8Ti0.2O3-delta oxides were synthesized by a combined EDTA-citrate complexing method. The catalytic behavior of these two oxides with the perovskite structure was studied during the reaction of methane oxidation. The pre-treatment with methane has different effect on the catalytic activities of both the oxides. The methane pre-treatment has not resulted in the change of the catalytic activity of BSCFO owing to its excellent reversibility of the perovskite structure resulting from the excellent synergistic interaction between Co and Fe in the oxide. However, the substitution with Ti on Fe-site in the lattice makes the methane pre-treatment have an obvious influence on the activity of the formed BSCTO oxide.