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DOI
: 10.3969/j.issn.2096-1693.2021.03.038
C-S-H 粗粒化模型隨機(jī)分布空間結(jié)構(gòu)特征研究
李妍,，于永金,，刁斌斌 ，韓寶國
1 中國石油大學(xué)(北京)石油工程學(xué)院,，北京 102249 2 中國石油大學(xué)(北京) 油氣資源與探測國家重點(diǎn)實(shí)驗(yàn)室,，北京 102249 3 中國石油集團(tuán)工程技術(shù)研究院有限公司，北京 102206 4 大連理工大學(xué)土木工程學(xué)院,，大連 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
文章導(dǎo)讀 ??
摘要 ?
固井水泥中水化硅酸鈣(C-S-H)粗粒模型的勢函數(shù)和空間結(jié)構(gòu)特征,，是構(gòu)建合理正確的介觀尺度模型的
核心問題?；谠映叨菴-S-H層間作用確定介觀尺度粒子間勢函數(shù),，構(gòu)建粒子空間位置呈隨機(jī)分布狀態(tài)的
C-S-H粗粒化模型,。分析不同孔隙率下C-S-H粒子的空間分布特征,，并通過分子動力學(xué)方法研究空間結(jié)構(gòu)對粒
子間膠結(jié)作用。結(jié)果表明,，結(jié)構(gòu)中粒子排布密實(shí)時(shí)(例如孔隙率為 0.4)孔徑尺寸較小且分布均勻,。孔徑基本呈
窄帶正態(tài)分布，孔徑范圍較小,，在 0.5~3.5 nm范圍內(nèi),。孔隙比低時(shí)(0.3 或 0.4)粒子間應(yīng)力多為壓力,，而孔隙比
大時(shí)(0.5 或 0.6)拉力明顯增多且密實(shí)度下降,。研究相同孔隙率時(shí)任意C-S-H粒子結(jié)構(gòu)構(gòu)型特征，發(fā)現(xiàn)這些構(gòu)型
在粒子應(yīng)力,、勢能,、孔隙空間分布方面具有接近特征，進(jìn)一步證明文中選取的構(gòu)型及其分析結(jié)果具有合理性,。
C-S-H粗粒模型可以作為小尺寸基本單位模型,，為建立大尺寸介觀尺度模型奠定基礎(chǔ)，從而為原子尺度和宏觀
尺度模型搭建橋梁,，為揭示水泥基材料根本性內(nèi)部生長與演變規(guī)律提供基礎(chǔ)理論研究,。
關(guān)鍵詞 ：
油氣井水泥,；C-S-H粗粒模型；空間結(jié)構(gòu)分布,；分子動力學(xué),；介觀尺度
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
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基金資助: 國家自然科學(xué)基金創(chuàng)新研究群體項(xiàng)目“復(fù)雜油氣井鉆井與完井基礎(chǔ)研究”(51821092) 支持
通訊作者:
[email protected] ; [email protected]
引用本文: ??
李妍, 于永金, 刁斌斌, 韓寶國. C-S-H粗粒化模型隨機(jī)分布空間結(jié)構(gòu)特征研究. 石油科學(xué)通報(bào), 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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