4.6 Article

Efficient meta-modelling of complex process simulations with time-space-dependent outputs

Journal

COMPUTERS & CHEMICAL ENGINEERING
Volume 35, Issue 3, Pages 502-509

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.compchemeng.2010.05.013

Keywords

Computer experiments; Design of experiments; Gaussian process; Kriging model; Meta-model; Principal component analysis

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Process simulations can become computationally too complex to be useful for model-based analysis and design purposes. Meta-modelling is an efficient technique to develop a surrogate model using computer data, which are collected from a small number of simulation runs. This paper considers meta-modelling with time-space-dependent outputs in order to investigate the dynamic/distributed behaviour of the process. The conventional method of treating temporal/spatial coordinates as model inputs results in dramatic increase of modelling data and is computationally inefficient. This paper applies principal component analysis to reduce the dimension of time-space-dependent output variables whilst retaining the essential information, prior to developing meta-models. Gaussian process regression (also termed kriging model) is adopted for meta-modelling, for its superior prediction accuracy when compared with more traditional neural networks. The proposed methodology is successfully validated on a computational fluid dynamic simulation of an aerosol dispersion process, which is potentially applicable to industrial and environmental safety assessment. (c) 2010 Elsevier Ltd. All rights reserved.

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