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houhou1986

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因此,选用适当催化剂和其他功能材料,使稠油实现催化裂解或降解,不可逆地降低重组分含量或改变其分子结构,降低稠油黏度,在一定程度上使稠油轻质化,可以降低稠油开采、集输和加工难度,这也是当前研究的热点之一。为了寻求优良的催化剂和其他功能材料,先前主要的文献和研究集中在实验方面,但实验需要耗费大量人力、物力、财力,且周期较长。考虑到目前从对于稠油降黏催化剂的理论研究较少,本课题将利用密度泛函理论(DFT)计算方法,利用Gaussian03软件包,结合Chem 3D等软件,从电子结构和化学键方面,探讨应用催化剂或功能材料降低稠油中氢键,以达到稠油降黏的可能性。
石油中的非烃组成主要是含氧、氮和硫等三种元素的有机化合物,而最重要的含氧化合物是酸类化合物。氢键的作用使得分子间相互作用力增强,从而导致稠油粘稠度增高。以下主要以乙酸-呋喃为模型,探讨含铁离子催化剂对氢键的影响,实现削弱氢键的可能性。

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houhou1986(金币+40, 翻译EPI+1):谢谢您~ 2010-10-28 20:05:53
So, choose appropriate catalyst and other functional material, make heavy realize catalytic cracking or degradation, to reduce the irreversible restructuring content or change its molecular structure, reduce the high-viscosity oil viscosity, to a certain extent, can reduce yields to heavy viscous drilling, airtight gathering and transportation and processing of difficulty, this also is the current research hotspot. In order to seek excellent catalyst and other functional materials, literature and the previous research mainly concentrated in the experiment, but experiments takes a lot of human, material and financial resources, and the cycle is long. Considering the current for heavy drop from the theory research and less sticky catalyst, the subject will use density functional theory (DFT) method, using Gaussian03,Chem 3D software and electronic structure and chemical from the aspects of catalysts, or functional materials, reduce heavy hydrogen to achieve in heavy upon the possibility of glue.
The oil is composed mainly of hydrocarbon oxygen, nitrogen, and sulfur and organic compounds of three elements, and the most important oxygenated compounds are acids compounds. Hydrogen bonding effect between molecular interactions, resulting in the enhancement of heavy viscosity heighten. The following main with acetic acid, discusses the model of furan - contains the iron ions, the influence of catalyst for hydrogen realize the possibility of hydrogen weakened.
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