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首页» 过刊浏览» 2021» Vol.6» Issue(3) 474-480     DOI : 10.3969/j.issn.2096-1693.2021.03.038
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C-S-H 粗粒化模型随机分布空间结构特征研究
李妍,于永金,刁斌斌 ,韩宝国
1 中国石油大学(北京)石油工程学院,北京 102249 2 中国石油大学(北京) 油气资源与探测国家重点实验室,北京 102249 3 中国石油集团工程技术研究院有限公司,北京 102206 4 大连理工大学土木工程学院,大连 116024
Random distribution structure characteristics for a calcium silicate hydrate coarse-grained model
LI Yan, YU Yongjin, DIAO Binin, HAN Baoguo
1 School of Petroleum Engineering, China University of Petroleum-Beijing, Beijing 102249, China 2 The State Key Laboratory of Petroleum Resources and Prospecting of China University of Petroleum-Beijing, Beijing 102249 3 CNPC Engineering Technology R&D Company Limited, Beijing 102206, China 4 School of Civil Engineering, Dalian University of Technology, Dalian 116024, China

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摘要  固井水泥中水化硅酸钙(C-S-H)粗粒模型的势函数和空间结构特征,是构建合理正确的介观尺度模型的 核心问题。基于原子尺度C-S-H层间作用确定介观尺度粒子间势函数,构建粒子空间位置呈随机分布状态的 C-S-H粗粒化模型。分析不同孔隙率下C-S-H粒子的空间分布特征,并通过分子动力学方法研究空间结构对粒 子间胶结作用。结果表明,结构中粒子排布密实时(例如孔隙率为 0.4)孔径尺寸较小且分布均匀。孔径基本呈 窄带正态分布,孔径范围较小,在 0.5~3.5 nm范围内。孔隙比低时(0.3 或 0.4)粒子间应力多为压力,而孔隙比 大时(0.5 或 0.6)拉力明显增多且密实度下降。研究相同孔隙率时任意C-S-H粒子结构构型特征,发现这些构型 在粒子应力、势能、孔隙空间分布方面具有接近特征,进一步证明文中选取的构型及其分析结果具有合理性。 C-S-H粗粒模型可以作为小尺寸基本单位模型,为建立大尺寸介观尺度模型奠定基础,从而为原子尺度和宏观 尺度模型搭建桥梁,为揭示水泥基材料根本性内部生长与演变规律提供基础理论研究。
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关键词 : 油气井水泥;C-S-H粗粒模型;空间结构分布;分子动力学;介观尺度
Abstract
The potential and space structure characteristics of the calcium silicate hydrate (C-S-H) coarse-grained model are the  
key to building a reasonable mesoscopic scale model. Based on the atomic scale C-S-H interlayer interaction, the mesoscopic  
scale potential function is determined. Then the C-S-H coarse-grained model is constructed with random spatial distribution of  
particles. The structural characteristics of the model with different porosities are studied. And the effects of particle positions  
on the interaction and stress are analyzed. The results show that when the particles are densely distributed, for example a 0.4  
porosity, the pores are tiny and evenly spread. The diameter of pores conforms to a narrow band Gaussian distribution and ranges
from 0.5 nm to 3.5 nm. The stress between particles is mostly pressure with smaller porosity (0.3 or 0.4) and tension with larger  
porosity (0.5 or 0.6). The density decreases with high porosity when the tension between particles increases. The configurations  
of different C-S-H structures with the same porosity have similar characteristics in terms of particle stress, potential energy and  
pore distribution, which further proves that the selected configurations and the results are reasonable. The C-S-H coarse-grained  
model can be used as a small-scale basic unit model, which is elementary for the establishment of a large-scale mesoscale model,  
thus bridging atomic scale and macro scale models, revealing the fundamental internal development of cement-based materials.


Key words: well cement; C-S-H coarse-grained model; spatial structure distribution; molecular dynamics; mesoscopic scale
收稿日期: 2021-09-29     
PACS:    
基金资助:国家自然科学基金创新研究群体项目“复杂油气井钻井与完井基础研究”(51821092) 支持
通讯作者: liyancup@cup.edu.cn; hithanbaoguo@163.com
引用本文:   
李妍, 于永金, 刁斌斌, 韩宝国. C-S-H粗粒化模型随机分布空间结构特征研究. 石油科学通报, 2021, 03: 474-480 LI Yan, YU Yongjin, DIAO Binin, HAN Baoguo. Random distribution structure characteristics for a calcium silicate hydrate coarsegrained model. Petroleum Science Bulletin, 2021, 03: 474-480.
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