Ethanol Steam Reforming on Rh Catalysts: Theoretical and Experimental Understanding

Through combined theoretical and experimental efforts, the reaction mechanism of ethanol steam reforming on Rh catalysts was studied. The results suggest that acetaldehyde (CH3CHO) is an important reaction intermediate in the reaction on nanosized Rh catalyst. Our theoretical work suggests that the H-bond effect significantly modifies the ethanol decomposition pathway. The possible reaction pathway on Rh (211) surface is suggested as CH3CH2OH -> CH3CH2O -> CH3CHO -> CH3CO -> CH3 + CO -> CH2 + CO -> CH + CO -> C + CO, followed by the water gas shift reaction to yield H-2 and CO2. In addition, we found that the water-gas shift reaction, not the ethanol decomposition, is the bottleneck for the overall ethanol steam reforming process. The CO + OH association is considered the key step, with a sizable energy barrier of 1.31 eV. The present work first discusses the mechanisms and the water effect in ethanol steam reforming reactions on Rh catalyst from both theoretical and experimental standpoints, which may shed light on designing improved catalysts.

Theoretical and experimental understanding on ethanol steam reforming for H-2 production

H2 is considered to be a potential alternative fuel due to its high energy density by weight and working with pollution free. Currently, ethanol conversion to hydrogen has drawn much attention because it provides a viable way for H2 production from renewable resources. In this work, we combined theoretical and experimental efforts to study the reaction mechanism of ethanol steam reforming on Rh catalysts. The results suggest that acetaldehyde (CH3CHO) is an important reaction intermediate in the reaction on nano-sized Rh catalyst. Our theoretical work suggests that the H-bond effect significantly modifies the ethanol decomposition pathway. The possible reaction pathway on Rh (211) surface is suggested as: CH3CH2OH → CH3CH2O → CH3CHO → CH3CO → CH3+CO → CH2+CO → CH+CO → C+CO, followed by the water gas shift reaction to yield H2 and CO2. It was found that that the water gas shift reaction is paramount in the ethanol steam reforming process.

Optimal deployment of geographically distributed workflow engines on the cloud

When orchestrating Web service workflows, the geographical placement of the orchestration engine (s) can greatly affect workflow performance. Data may have to be transferred across long geographical distances, which in turn increases execution time and degrades the overall performance of a workflow. In this paper, we present a framework that, given a DAG-based workflow specification, computes the optimal Amazon EC2 cloud regions to deploy the orchestration engines and execute a workflow. The framework incorporates a constraint model that solves the workflow deployment problem, which is generated using an automated constraint modelling system. The feasibility of the framework is evaluated by executing different sample workflows representative of scientific workloads. The experimental results indicate that the framework reduces the workflow execution time and provides a speed up of 1.3x-2.5x over centralised approaches.

Designing low-emission aero-engines using adjoint methods

The aim of this work is to investigate an efficient CAD based adjoint process chain for calculating sensitivities of the objective function to the CAD parameter in time scales acceptable for industrial design processes.