A kinetic model for the hydrocracking of a real vacuum gas oil feedstock (VGO) with 217 discrete lumps defined by carbon number and structure was extended from the model published by our group. A model with two additional parameters, taking into account catalyst composition and geometrical properties, was developed. The 17-parameter estimation was performed from 1332 experiment data points obtained in a semi-batch reactor at 120 bar and 400 °C at various reaction times (0–338 min) for 3 bifunctional catalysts and is validated against 8 catalysts with different zeolite and metal loadings (respectively, 0.5–1.5 and 0.6–0.7) based on a statistical analysis. A macroscale relation for cracking rates, dependent on zeolite loading and catalyst internal geometry, was proposed. This interpretation gives good agreement between calculated and measured mass fractions, VGO conversion and middle distillate, and naphtha and LPG selectivities. Critical analysis of the estimated kinetic constants confirms the well-known bifunctional mechanism derived from model molecules.

中文翻译：

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双功能催化剂的几何形状对减压馏分油的加氢裂化转化率和选择性的影响

从我们小组发布的模型中扩展了具有217个离散块的真实真空瓦斯油原料（VGO）加氢裂化的动力学模型，该块由碳数和结构定义。考虑到催化剂的组成和几何性质，开发了一个具有两个附加参数的模型。17个参数的估计是根据在120 bar和400°C的半间歇反应器中在3种双功能催化剂的不同反应时间（0–338分钟）下在1批分批反应器中获得的1332个实验数据点进行的，并针对8种具有不同沸石和根据统计分析得出的金属负载量（分别为0.5-1.5和0.6-0.7）。提出了取决于沸石负载量和催化剂内部几何形状的开裂速率的宏观关系。这种解释在计算和测量的质量分数，VGO转化率和中间馏分以及石脑油和液化石油气的选择性之间取得了很好的一致性。对估计的动力学常数的关键分析证实了衍生自模型分子的众所周知的双功能机理。