首页> 外文会议>17th European symposium on computer aided process engineering >Reliable Nonlinear Parameter Estimation inPredicting the Activity Coefficients for ComplexHydrocarbon Mixtures
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Reliable Nonlinear Parameter Estimation inPredicting the Activity Coefficients for ComplexHydrocarbon Mixtures

机译:预测复杂烃混合物活度系数的可靠非线性参数估计

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In conventional coke-oven gas scrubbing processes, the recovery of volatileorganic compounds (VOC) is carried out in absorption units in which complexmixtures of high boiling polyaromatic components are used as absorbents (coaltar oils ~ washing oil). Due to the number of components (here 400 up to 500),which are similar in their molecular weight and structure, and the lack of datadescribing the interactions of VOCs in this mixture, the determination ofactivity coefficients at infinite dilution and Henry coefficients, respectively, isan essential basic for process calculations. To overcome this problem, in thiswork, a stochastic search method is combined with a Quasi-Newton approach inorder to estimate the UNIFAC parameters which describe the interactionsbetween the washing oil (regarded as one type of pseudo-component) and thelight aromatic compounds. For this purpose, experimental studies were alsocarried out.
机译:在传统的焦炉煤气洗涤过程中,挥发物的回收 有机化合物(VOC)在吸收单元中进行,其中络合物 高沸点多芳烃组分的混合物用作吸收剂(煤 焦油〜洗涤油)。由于组件的数量(此处为400到500), 它们的分子量和结构相似,并且缺乏数据 描述该混合物中VOC的相互作用, 无限稀释时的活度系数和亨利系数分别为 流程计算的必要基础。为了克服这个问题,在此 工作中,随机搜索方法与准牛顿法相结合 为了估算描述相互作用的UNIFAC参数 在洗涤油(被视为一种伪组分)和 轻质芳香化合物。为此,还进行了实验研究 执行。

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