本文選題：頁巖氣 + 伊利石�。� 參考：《太原理工大學(xué)》2015年碩士論文

【摘要】：頁巖氣工業(yè)的興起，使得人們越來越重視對頁巖氣的成藏估計。隨著對頁巖氣吸附機(jī)理認(rèn)識的不斷深入，很多學(xué)者開始將頁巖氣的吸附研究集中在粘土礦物上，特別是伊利石上。伊利石作為油氣盆地儲層中常見的粘土礦物之一，是致密儲層的重要組成部分，由于其晶粒細(xì)小，比表面積大，對天然氣具有較強(qiáng)的吸附性能，對油氣的存儲具有重要的作用。在伊利石對甲烷的吸附研究中，國內(nèi)外學(xué)者主要集中于實驗研究。但是粘土礦物和有機(jī)質(zhì)常常形成有機(jī)復(fù)合體，，使得粘土礦物與有機(jī)質(zhì)對甲烷的吸附上難以區(qū)分。為了更深層次的理解伊利石儲層的吸附性能，以及甲烷在泥頁巖中的擴(kuò)散規(guī)律，本文從微觀的角度模擬伊利石粒子對甲烷分子的吸附模擬。這對于頁巖氣盆地的資源估算和儲層評價都有一定的現(xiàn)實意義。 本文運用Material Studio6.0(MS)軟件，對甲烷分子在1M伊利石中的吸附進(jìn)行了模擬。首先，在伊利石的通用分子式的基礎(chǔ)上，建立了伊利石1M-tv與1M-cv多型結(jié)構(gòu)。通過分子力學(xué)方法建立了兩種構(gòu)型的最穩(wěn)定結(jié)構(gòu)，并對其進(jìn)行了XRD反演及標(biāo)準(zhǔn)粉末衍射卡的物相匹配。結(jié)果表明所模擬的XRD圖譜不僅符合前人對1M伊利石研究得出圖譜特征而且與標(biāo)準(zhǔn)卡片也有較好的對應(yīng)。在此基礎(chǔ)上對所模擬結(jié)構(gòu)中的d001與d002值進(jìn)行了計算，在與前人文獻(xiàn)中的理論值和實驗值對比后發(fā)現(xiàn)了較好一致性，從而證明了所構(gòu)建結(jié)構(gòu)的合理性。 通過蒙特卡洛方法模擬（MC）了實際儲層條件下1M多型伊利石對甲烷的吸附，結(jié)果表明甲烷在1M伊利石中的吸附量均呈現(xiàn)出隨著埋深先增大后減小的趨勢，并且在2~3km下吸附量達(dá)到峰值。 在1M多型中，tv構(gòu)型與cv構(gòu)型在類質(zhì)同象作用上存在差異，使得二者的吸附量發(fā)生差異。不同埋深下cv構(gòu)型較tv構(gòu)型表現(xiàn)出對甲烷更好的吸附性能。這顯示了貧Fe、Mg富Al的伊利石環(huán)境下更有利于對甲烷的吸附。 為了進(jìn)一步理解甲烷在兩種1M伊利石構(gòu)型中吸附量上的差異及擴(kuò)散規(guī)律，本文通過分子動力學(xué)（MD）方法模擬了甲烷在伊利石中的擴(kuò)散行為。結(jié)果表明： （1）1M伊利石吸附甲烷后，甲烷均集中在伊利石構(gòu)型的中央和層中央兩翼靠近粘土片層的位置。層間K離子均主要集中在兩種構(gòu)型的層中央，但隨著溫度壓強(qiáng)的變化，tv構(gòu)型中的K離子有小部分發(fā)生了震蕩。 （2）甲烷在伊利石中的聚集主要是受到了層間K離子與四面體的粘土片層的物理吸引作用。其中四面體片層是引起甲烷吸附量差異化的原因。 （3）通過分析吸附后構(gòu)型中粒子間的徑向分布函數(shù)及層間粒子的自擴(kuò)散系數(shù)，表明2~3km埋深下，伊利石兩種構(gòu)型對甲烷的束縛作用較強(qiáng)。此埋深下最適合頁巖氣的開采。
[Abstract]:With the rise of shale gas industry, more and more attention has been paid to the estimation of shale gas accumulation. With the deepening understanding of the mechanism of shale gas adsorption, many scholars begin to focus on clay minerals, especially Illite. Illite, as one of the common clay minerals in oil and gas basin reservoir, is an important part of tight reservoir. Because of its small grain size and large specific surface area, Illite has strong adsorption property to natural gas and plays an important role in oil and gas storage. In the study of Illite adsorption of methane, domestic and foreign scholars mainly focus on experimental research. However, clay minerals and organic matter often form organic complexes, which make it difficult to distinguish the adsorption of methane between clay minerals and organic matter. In order to better understand the adsorption performance of Illite reservoir and the diffusion of methane in shale, this paper simulates the adsorption of Illite particles to methane molecules from the microscopic point of view. This is of practical significance for resource estimation and reservoir evaluation in shale gas basins. The adsorption of methane molecules in 1m Illite has been simulated by Material Studio 6.0. Firstly, based on the general molecular formula of Illite, the polymorphic structures of Illite 1M-tv and 1M-cv were established. The most stable structures of two configurations were established by molecular mechanics method, and the XRD inversion and the matching of standard powder diffraction cards were carried out. The results show that the simulated XRD spectra not only accord with the previous studies on 1M Illite, but also correspond well with the standard cards. On this basis, the values of d001 and d002 in the simulated structures are calculated. The comparison with the theoretical and experimental values in previous literatures shows that the constructed structures are reasonable. The adsorption of methane by 1m polytype Illite in real reservoir is simulated by Monte Carlo method. The results show that the adsorption capacity of methane in 1M Illite shows a tendency of increasing at first and then decreasing with the depth of burial. The adsorption capacity reached the peak at 2~3km. In the 1m polyforms, there are differences between the tv and cv configurations in the homotypic effect, which leads to the difference of the adsorption capacity between them. Compared with TV configuration, cv configuration shows better adsorption performance for methane at different buried depths. The results show that the Illite with poor Fe, mg and rich Al is more favorable to the adsorption of methane. In order to further understand the difference in adsorption capacity and diffusion law of methane in two 1m Illite configurations, the diffusion behavior of methane in Illite was simulated by molecular dynamics (MD) method. The results show that: When Illite adsorbs methane, the methane is concentrated in the center of the Illite configuration and in the position near the clay lamellar between the two wings of the Illite configuration. The interlayer K ions are mainly concentrated in the middle of the two configurations, but a small part of K ions in the TTV configuration oscillates with the change of temperature and pressure. The accumulation of methane in Illite is mainly due to the physical attraction of interlaminar K ion and tetrahedral clay lamellae. The tetrahedron lamellar is the reason for the difference of methane adsorption. 3) by analyzing the radial distribution function of interparticle and the self-diffusion coefficient of interlayer particles in the adsorbed configuration, it is shown that the two configurations of Illite have strong binding effect on methane under the 2~3km buried depth. This depth is most suitable for shale gas mining.
【學(xué)位授予單位】：太原理工大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2015
【分類號】：P618.13

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本文編號：1788623