基于结构导向集总的液体石蜡蒸汽裂解制-α烯烃分子尺度动力学模型  

KINETIC MODEL FOR STEAM CRACKING OF LIQUID PARAFFIN BASED ON STRUCTURE ORIENTED LUMPING METHOD

作　　者：石利斌[1] 沈本贤[1] 孙辉[1] 皮志鹏 

机构地区：[1]华东理工大学石油加工研究所,上海200237

出　　处：《石油炼制与化工》2016年第9期34-40,共7页Petroleum Processing and Petrochemicals

基　　金：国家自然科学基金资助项目(21201063)

摘　　要：基于结构导向集总的方法建立了液体石蜡蒸汽裂解制α-烯烃的分子尺度动力学模型,构建了一个新的结构向量DB,用于精确描述烯烃分子。建立了108个分子和546个反应组成的反应网络,能够实现对液体石蜡蒸汽裂解过程单程转化率和α-烯烃产品收率的准确预测。采用该模型预测得到的液体石蜡蒸汽裂解制α-烯烃的优化工艺条件为:裂解温度660℃,停留时间3.5s,水蜡摩尔比0.1。在优化工艺条件下,通过模型预测单程转化率、α-烯烃收率和裂解气收率的相对误差分别为2.36%,1.29%,6.47%。A kinet lumping is established. ic model of liquid paraffin steam cracking process based on structure oriented A new structure vectors DB is built to indicate olefin exactly. The reaction net work is composed of 108 molecules and 546 reactions. cast the conversion and α-olefin yield successfully. The The structure oriented lumping model can foreoptimum cracking conditions of a kind of liquid paraffin are obtained by the structure oriented lumping model. The optimum conditions are 660℃, 3.5 s and steam to paraffin ratio of 0.1. Under the optimal conditions, the relative errors of conversion, α- olefin yield and cracking gas yield of calculated value and experiment value are 2.36%, 1.29% and 6.47%, respectively.

关 键 词：液体石蜡 蒸汽裂解 Α-烯烃 结构导向集总 

分 类 号：O623.121[理学—有机化学]