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首页> 外文会议>CO2 summit II: Technology and opportunity 2016 >Integration of High-Fidelity CO_2 Sorbent Models at the Process Scale Using Dynamic Discrepancy
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Integration of High-Fidelity CO_2 Sorbent Models at the Process Scale Using Dynamic Discrepancy

机译：使用动态差异在过程规模上集成高保真度CO_2吸附剂模型

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摘要

A high-fidelity model of a mesoporous silica supported, pofyethylenimine (PEI)-impregnated solid sorbent for CO_2 capture has been incorporated into a model of a bubbling fluidized bed adsorber using Dynamic Discrepancy Reduced Modeling (DDRM). The sorbent model includes a detailed treatment of transport and amine-CO_2-H_2O interactions based on quantum chemistry calculations. Using a Bayesian approach, we calibrate the sorbent model to Thermogrevimetric (TGA) data. Discrepancy functions are included within the diffusion coefficients for diffusive species withm the PEI bulk, enabling a 20-fold reduction in model order. Additional discrepancy functions account for non-ideal behavior in the adsorption of CO_2 and H_2O. The discrepancy functions are based on a Gaussian process in the Bayesian Smoothing Splines ANOVA framework, which provides a convenient parametric form for calibration and upscaling. The dynamic discrepancy method for scale-bridging produces probabilistic predictions at larger scales, quantifying uncertainty due to model reduction and the extrapolation inherent in model upscaling. The dynamic discrepancy method is demonstrated using TGA data for a PEI-based sorbent and model of a bubbling fluidized bed adsorber. LA-UR-16-23184.
机译：使用动态差异减少模型（DDRM）将高保真度的介孔二氧化硅负载的聚氧乙烯亚胺（PEI）浸渍的固体吸附剂用于CO_2捕集的模型已并入冒泡流化床吸附器的模型中。吸附剂模型包括基于量子化学计算的输运和胺-CO_2-H_2O相互作用的详细处理。使用贝叶斯方法，我们将吸附剂模型校准为热重分析（TGA）数据。 PEI体积的扩散物种的扩散系数内包含差异函数，从而使模型顺序减少了20倍。其他差异函数解释了CO_2和H_2O吸附中的非理想行为。差异函数基于贝叶斯平滑样条线方差分析框架中的高斯过程，该过程为校准和放大提供了方便的参数形式。用于尺度桥接的动态差异方法可在较大尺度上产生概率预测，从而量化由于模型缩减和模型规模化所固有的外推法引起的不确定性。使用TGA数据对基于PEI的吸附剂和鼓泡流化床吸附器的模型演示了动态差异方法。 LA-UR-16-23184。

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  • 会议地点 Santa Ana Pueblo NM(US)
  • 作者

    Joel D. Kress; Kuijun Li; David S Mebane; Priyadarshi Mahapatra;

  • 作者单位

    Los Alamos National Laboratory;

    National Energy Technology Laboratory,Department of Mechanical and Aerospace Engineering, West Virginia University;

    National Energy Technology Laboratory,Department of Mechanical and Aerospace Engineering, West Virginia University;

    National Energy Technology Laboratory;

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