Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physi...Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physical and chemical properties of montmorillonite should be studied from basic viewpoints.We study the atomic and electronic structures of montmorillonite by using density-functional theory within the local-density approximation （LDA）.The results of calculation show that Al-O bond lengths are longer than Si-O bond lengths.It is found that both the valence band maximum （VBM） and the conduction band minimum （CBM） of montmorillonite are at point Г,and the calculated direct band gap of montmorillonite is 5.35 eV. We show that the chemical bonding between cations and oxygen anions in montmorillonite is mainly ionic,accompanied as well by a minor covalent component.It is pointed out that the VBM and CBM of montmorillonite consist of oxygen 2p and cation s states,respectively.Our calculated results help to understand the chemical and physical properties of montmorillonite,and are expected to be a guide for solving the problem of large deformation of soft-rock tunnels.展开更多
Based on the importance of fractured rock mass seepage research, in order to analyze seepage flow characteristics of collapse column under the influence of mining, a method by embedding fractured rock mass flow solid ...Based on the importance of fractured rock mass seepage research, in order to analyze seepage flow characteristics of collapse column under the influence of mining, a method by embedding fractured rock mass flow solid coupling relationship into FLAC3D internal flow models is presented according to fluid-solid coupling theory and strength criterion. A calculation model of numerical analysis was established, and the influences of mining pressure and plastic damage to pore water pressure and seepage vector change rule were studied. The results show that collapse column is the main channel of confined water seepage upward. The impact is not big when the workface is away from the collapse column. But when the workface is nearing a collapse column, there will be a seepage channel on a side near the workface, in which seepage vector and head are comparatively large. With workface pushing through collapse column, the seepage channel transfers to the other side of the column. In addition, when the plastic damage area within the collapse column breaks through, a "pipeline flow" will be formed within the column, and seepage field will change remarkably and the possibility of water bursting will be greater.展开更多
The water abundance of mine floor limestone needs to be solved urgently as the average depth of coal mining in China has increased gradually. A method is presented to discuss water abundance with the numerical and phy...The water abundance of mine floor limestone needs to be solved urgently as the average depth of coal mining in China has increased gradually. A method is presented to discuss water abundance with the numerical and physical layered geoelectrical model being established in the half-space, full-space and full-space with tunnel, respectively. The parameters of water abundance are changed in this study, which includes water quantity, water content and volume of abnormity of water-containing abnormity. Results indicate that the different work fields have different macroscopic influences on the apparent resistivity,and the water abundance parameters of water-containing abnormity have quantitative relationship with the apparent resistivity mean in abnormal regions(three-dimensional space region). The quantitative relationships are shown as following: firstly, the amount of water injection has negative linear correlation with the apparent resistivity mean; secondly, when abnormity is unsaturated, there is a negative power function relationship between water content and apparent resistivity mean; thirdly, the volume of abnormity and apparent resistivity mean behave as a decreasing power function law.展开更多
Using the first-principles methods, we study the formation energeties and charge doping properties of the extrinsic substitutional defects in kaolinite. Especially, we choose Be, Mg, Ca, Fe, Cr, Mn, Cu, Zn as extrinsi...Using the first-principles methods, we study the formation energeties and charge doping properties of the extrinsic substitutional defects in kaolinite. Especially, we choose Be, Mg, Ca, Fe, Cr, Mn, Cu, Zn as extrinsic defects to substitute for Al atoms. By systematically calculating the impurity formation energies and transition energy levels, we find that all group-Ⅱ defects introduce the relative shallow transition energy levels in kaolinite. Among them, MgAl has the shallowest transition energy level at 0.08 eV above the valence band maximum. The transition- elemental defects FeAl, CrAl, and MnAl are found to have relative low formation energies, suggesting their easy formation in kaolinite under natural surrounding conditions. Our calculations show that the defects CuAl and ZnAl have the high formation energies and deep transition energy levels, which exclude the possibility of their formation in natural kaolinite.展开更多
Regarding the lack of cold source for underground cooling systems from either mine inflow or return air, field experiments were taken in a high temperature deep coal mine with abundant cold source from surface water. ...Regarding the lack of cold source for underground cooling systems from either mine inflow or return air, field experiments were taken in a high temperature deep coal mine with abundant cold source from surface water. Taking Sanhejian coal mine as an example, this paper introduced the technology scheme of heat disaster governance using surface water cold source. The paper presents the basics of this field experiment at the beginning, following by the design and site layout of the cooling system including the analysis and calculation of cold source. Numerical calculation method is also applied based on the operation parameters to simulate the influence to the surface river ecosystem. The results suggest that the temperature of surface water shall be lower than 34 ℃ after heat exchange, and when more cooling capacities are needed in the future, increasing the water flow is more favorable than increasing the cooling range of water, which is better for the ecological environment protection,展开更多
基金Project supported by the National Key Basic Research Program of China (Grant No 2006CB202200)the Program for Changjiang Scholars and Innovative Research Team in University of China (Grant No IRT0656)the National Natural Science Foundation of China (Grant No 50490270)
文摘Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physical and chemical properties of montmorillonite should be studied from basic viewpoints.We study the atomic and electronic structures of montmorillonite by using density-functional theory within the local-density approximation （LDA）.The results of calculation show that Al-O bond lengths are longer than Si-O bond lengths.It is found that both the valence band maximum （VBM） and the conduction band minimum （CBM） of montmorillonite are at point Г,and the calculated direct band gap of montmorillonite is 5.35 eV. We show that the chemical bonding between cations and oxygen anions in montmorillonite is mainly ionic,accompanied as well by a minor covalent component.It is pointed out that the VBM and CBM of montmorillonite consist of oxygen 2p and cation s states,respectively.Our calculated results help to understand the chemical and physical properties of montmorillonite,and are expected to be a guide for solving the problem of large deformation of soft-rock tunnels.
基金the financial support for this work by the National Key Basic Research and Development Program of China (No. 2010CB226805)the National Natural Science Foundation of China (No. 0874103)the Natural Science Foundation of Jiangsu Province (No. BK2008135)
文摘Based on the importance of fractured rock mass seepage research, in order to analyze seepage flow characteristics of collapse column under the influence of mining, a method by embedding fractured rock mass flow solid coupling relationship into FLAC3D internal flow models is presented according to fluid-solid coupling theory and strength criterion. A calculation model of numerical analysis was established, and the influences of mining pressure and plastic damage to pore water pressure and seepage vector change rule were studied. The results show that collapse column is the main channel of confined water seepage upward. The impact is not big when the workface is away from the collapse column. But when the workface is nearing a collapse column, there will be a seepage channel on a side near the workface, in which seepage vector and head are comparatively large. With workface pushing through collapse column, the seepage channel transfers to the other side of the column. In addition, when the plastic damage area within the collapse column breaks through, a "pipeline flow" will be formed within the column, and seepage field will change remarkably and the possibility of water bursting will be greater.
文摘The water abundance of mine floor limestone needs to be solved urgently as the average depth of coal mining in China has increased gradually. A method is presented to discuss water abundance with the numerical and physical layered geoelectrical model being established in the half-space, full-space and full-space with tunnel, respectively. The parameters of water abundance are changed in this study, which includes water quantity, water content and volume of abnormity of water-containing abnormity. Results indicate that the different work fields have different macroscopic influences on the apparent resistivity,and the water abundance parameters of water-containing abnormity have quantitative relationship with the apparent resistivity mean in abnormal regions(three-dimensional space region). The quantitative relationships are shown as following: firstly, the amount of water injection has negative linear correlation with the apparent resistivity mean; secondly, when abnormity is unsaturated, there is a negative power function relationship between water content and apparent resistivity mean; thirdly, the volume of abnormity and apparent resistivity mean behave as a decreasing power function law.
基金Supported by the National Basic Research Program of China under Grant No 2006CB202200, the Program for Changjiang Scholars and Innovative Research Team in University of China under Grant No IRT0656, and the National Natural Science Foundation of China under Grant No 50490270.
文摘Using the first-principles methods, we study the formation energeties and charge doping properties of the extrinsic substitutional defects in kaolinite. Especially, we choose Be, Mg, Ca, Fe, Cr, Mn, Cu, Zn as extrinsic defects to substitute for Al atoms. By systematically calculating the impurity formation energies and transition energy levels, we find that all group-Ⅱ defects introduce the relative shallow transition energy levels in kaolinite. Among them, MgAl has the shallowest transition energy level at 0.08 eV above the valence band maximum. The transition- elemental defects FeAl, CrAl, and MnAl are found to have relative low formation energies, suggesting their easy formation in kaolinite under natural surrounding conditions. Our calculations show that the defects CuAl and ZnAl have the high formation energies and deep transition energy levels, which exclude the possibility of their formation in natural kaolinite.
基金supported by the Key Project of National Natural Science Foundation‘‘Deep Heat Governance and Utilization’’(No.51134005)the Doctoral Fund of Ministry of Education(No.20120023120004)
文摘Regarding the lack of cold source for underground cooling systems from either mine inflow or return air, field experiments were taken in a high temperature deep coal mine with abundant cold source from surface water. Taking Sanhejian coal mine as an example, this paper introduced the technology scheme of heat disaster governance using surface water cold source. The paper presents the basics of this field experiment at the beginning, following by the design and site layout of the cooling system including the analysis and calculation of cold source. Numerical calculation method is also applied based on the operation parameters to simulate the influence to the surface river ecosystem. The results suggest that the temperature of surface water shall be lower than 34 ℃ after heat exchange, and when more cooling capacities are needed in the future, increasing the water flow is more favorable than increasing the cooling range of water, which is better for the ecological environment protection,
