Molecule-based kinetic modeling by Monte Carlo methods for heavy petroleum conversion

来源 :Science China(Chemistry) | 被引量 : 0次 | 上传用户:wusyun
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
A methodology for kinetic modeling of conversion processes is presented.The proposed approach allows to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by means of a two-step procedure.In the first step,a synthetic mixture of molecules representing the feedstock is generated via a molecular reconstruction method,termed SR-REM molecular reconstruction.In the second step,a kinetic Monte Carlo method,termed stochastic simulation algorithm(SSA),is used to simulate the effect of the conversion reactions on the mixture of molecules.The resulting methodology is applied to the Athabasca vacuum residue hydrocracking.An adequate molecular representation of the vacuum residue is obtained using the SR-REM algorithm.The reaction simulations present a good agreement with the laboratory data for Athabasca vacuum residue conversion.In addition,the proposed methodology provides the molecular detail of the vacuum residue conversion throughout the reactions simulations. A methodology for kinetic modeling of conversion processes is presented. Proposed proposed approach to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by means of a two-step procedure. In the first step, a synthetic mixture of molecules representing the feedstock is generated via a molecular reconstruction method, termed SR-REM molecular reconstruction. in the second step, a kinetic Monte Carlo method, termed stochastic simulation algorithm (SSA), is used to simulate the effect of the conversion reactions on the mixture of molecules. The resulting methodology is applied to the Athabasca vacuum residue hydrocracking. An adequate molecular representation of the vacuum residue is obtained using the SR-REM algorithm. The reaction simulations present a good agreement with the laboratory data for Athabasca vacuum residue conversion.In addition, the proposed law provides the molecular detail of the vacuum residue conversion throughout the reactions simulations.
其他文献
目的研究老年糖尿病单侧脑神经损害的临床表现及预后。方法回顾23例临床资料,结合文献进行分析。结果12例单侧动眼神经损害,7例单侧面神经损害,4例单侧外展神经损害。头颅CT检查均有不同程度脑萎缩或脑退性型变。结论被损害的脑神经多在1.5~3个月恢复正常,预后好。
一本纪实性的文学作品中出现了这样的情节:一九六六年一月某日“张春桥从身上拿出两本书来,一本是《燕山夜话》,另一本是《三家村札记》,他把两本书摔到茶几上,说……"(“文化大革命纪实系列1”《山雨欲来》)。这个细节恐怕是不符合历史真实的,首先《燕山夜话》初版本是分为五小册先后出版的,当时不可能有那么一本《燕山夜话》合集(“文革”后才有),这《三家村札记》的出现更是完全没有根据,因为一九六六年一月不可能
2013年10月19日东北亚国际商贸城·汽配汽贸采购港产品推荐会暨品牌商家签约仪式在丹东市东港国宴如期举行,十届全国人大常委、法律委员会副主任、全国工商联副主席、国家质
新一代的“自由”发动机,将最大扭矩强化到了147N·m,关山迢递化作闲庭信步;新增的空挡辅助器,可谓是省时、省力及省心的代表;110L的超大储物空间,令骑手轻松打包所有行囊;原
在CuBr催化以及醋酸碘苯[PhI(OAc)_2]参与下,利用炔、胺建立了一种合成炔丙胺类化合物的新方法.通过对金属催化剂的种类、反应溶剂和温度等因素的考察,最终确定了反应的最优
俄罗斯新出台的矿产开采税减税政策9月开始正式生效,根据地区和储地不同有所区别,俄罗斯最具开采潜力的西西伯利亚的巴热诺夫(Bazhenov)页岩区将享受矿产开采税零税率,其他页
当早先美版帕萨特B7 NMS初露尊容的那一刻,更加宽大的车身,不怒自威的造型、硕大的多辐轮辋、类似奥迪A4L风格的整体客窗和口碑颇佳的PQ46平台,无不预示着这款德、中、美合作
网络时代,高校图书馆服务模式正在转变,服务手段日趋现代化。用户在获取网上信息的过程中遇到各种障碍,我们必须通过用户教育和用户服务,帮助用户克服障碍,提高获取信息资源
俄罗斯大陆架油气资源丰富,主要蕴藏在远东萨哈林州附近海域的大陆架。俄塔社2005年5月11日报道,俄罗斯已探明的陆地油气田中,75%已处于开发阶段,资源的开发程度接近50%。俄