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On the effectiveness factor calculation for a reaction-diffusion process in an immobilized biocatalyst pellet

机译:固定化生物催化剂颗粒中反应扩散过程的有效性因子计算

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摘要

This contribution deals with effectiveness factor (eta) and concentration profile of key component estimations when a single independent reaction takes place in a porous catalyst structure where enzymes are immobilized.The procedure is quite general since any kinetic expression can be handled and the case of catalytic activity distribution can also be taken into account.With the knowledge of kinetic parameters and effective diffusivity eta and concentration profiles can be estimated through very simple algebraic equations.Thus,the numerical solution of a non linear second order boundary value differential equation,which usually needs some spline scheme,is avoided.The obtained approximate results are compared with numerical findings for the case of slab geometry where a very simple numerical procedure can be used to solve the resulting differential non linear equation.Approximate results are shown very accurate in the whole range of kinetic parameters,even in those cases where the reaction kinetics shows an apparent negative order of reaction and eta values can be above unity.Tables are used to better compare approximate and numerical values.Concentration profile predictions are also very accurate in the region nearby the external surface of the catalyst particle.These approximate results are used to establish criteria to analyze experimental kinetic data in those cases where diffusional phenomena,that could affect chemical parameter estimations,must be avoided.
机译:当一个独立的反应在固定有酶的多孔催化剂结构中发生单个独立反应时,这一贡献涉及效率因子(eta)和关键成分估计的浓度分布图。该过程非常通用,因为可以处理任何动力学表达,并且可以催化借助动力学参数和有效扩散系数η以及浓度分布图,可以通过非常简单的代数方程估算出活性分布。因此,通常需要非线性二阶边界值微分方程的数值解将获得的近似结果与平板几何形状的数值结果进行比较,可以使用非常简单的数值程序来求解所得的微分非线性方程。在整个范围内,近似结果显示非常准确动力学参数,即使在那些反应离子动力学显示出明显的负反应阶数,η值可大于1;表用于更好地比较近似值和数值;在催化剂颗粒外表面附近的区域,浓度分布预测也非常准确。这些近似结果在必须避免可能影响化学参数估算的扩散现象的情况下,可使用“标准”建立分析动力学数据的标准。

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