2017
DOI: 10.1016/j.apenergy.2015.10.171
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Computational optimization of catalyst distributions at the nano-scale

Abstract: Catalysis is a key phenomenon in a great number of energy processes, including feedstock conversion, tar cracking, emission abatement and optimizations of energy use. Within heterogeneous, catalytic nano-scale systems, the chemical reactions typically proceed at very high rates at a gas-solid interface. However, the statistical uncertainties characteristic of molecular processes pose efficiency problems for computational optimizations of such nanoscale systems. The present work investigates the performance of … Show more

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Cited by 2 publications
(1 citation statement)
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“…In paper [136], the performance of a Direct Simulation Monte Carlo (DSMC) code with a stochastic optimization heuristic for evaluations of an optimal catalyst distribution was investigated, which is useful to improve the performance of processes for biomass conversion. This study is important because the statistical uncertainties characteristic of molecular processes pose efficiency problems for computational optimizations at the nano-scale.…”
Section: Energy Sciencesmentioning
confidence: 99%
“…In paper [136], the performance of a Direct Simulation Monte Carlo (DSMC) code with a stochastic optimization heuristic for evaluations of an optimal catalyst distribution was investigated, which is useful to improve the performance of processes for biomass conversion. This study is important because the statistical uncertainties characteristic of molecular processes pose efficiency problems for computational optimizations at the nano-scale.…”
Section: Energy Sciencesmentioning
confidence: 99%