煤的孔透度和分子结构之间的构成关系基于科泽尼-卡曼方程
Mingkun Pang1,2, Tianyu Zhang1, Lin Li1
1College of Safety Science and Engineering, Xi'an University of Science and Technology, Xi'an, China.
PloS one
|July 15, 2025
概括
这项研究模拟了煤结构,以链接孔隙性和透性. 煤炭中较高的多孔性降低了其透性,为多孔介质提供了一种新的计算方法.
科学领域:
- 材料科学 材料科学 材料科学
- 计算化学计算化学
- 地质地质地质地质地质地
背景情况:
- 煤的孔隙结构显著影响其物理性质.
- 了解孔隙性和透性之间的关系对于资源提取和管理至关重要.
研究的目的:
- 为了建模和优化不同密度的煤的细胞结构.
- 为了在煤中建立孔隙性和透性之间的数学关系.
主要方法:
- 使用材料工作室 (MS) 进行分子建模和优化.
- 使用康诺利表面模块对内部表面积的分析.
- 通过灰色加工方法进行孔径评估.
- 应用科泽尼-卡曼 (KC) 方程来确定孔隙透性关系.
主要成果:
- 观察到的最大孔径值在2.01 Å的孔隙大小附近为0.29.
- 孔隙性被确定为影响煤炭透性的主要因素.
- 发现了一个明显的反向关系:随着毛孔度的增加,透性下降.
结论:
- 一个新的回归方程 (K = 161 [公式:见文本] 2.1/(1 + 12 [公式:见文本] 2.1)) 被导出来量化毛孔度-透度关系.
- 该研究提出了一种新的方法方法,用于计算多孔介质的透性.
- 这些发现有助于更好地理解通过煤的流体流动.
相关概念视频
Permeability of Concrete
217
Permeability in the context of concrete refers to how easily liquids or gases can pass through the material. This quality is crucial for assessing the water-tightness and durability of concrete structures and their resistance to chemical attacks. Concrete permeability can be determined through comparative laboratory tests. These tests typically involve sealing a concrete specimen from the sides, applying water pressure to the top surface with pressure, and measuring the amount of water passing...
217
Pore Size Distribution
219
In concrete, the pore size distribution significantly influences the material's properties. Capillary pores, markedly larger than gel pores, form a vast network within partially hydrated cement paste, reducing the concrete's strength and increasing its permeability. This heightened permeability leads to a greater risk of damage from environmental factors like freeze-thaw cycles and chemical attacks, with the extent of vulnerability also being tied to the water-to-cement ratio.
Adequate...
Adequate...
219
Porosity and Absorption of Aggregate
416
Aggregates contain pores of varying sizes; while some are completely enclosed within the particles, others open onto the surface, allowing water to penetrate. The porosity of aggregates is a major factor contributing to the overall porosity of concrete, given that aggregates constitute about three-quarters of concrete's volume.
When all pores in an aggregate are filled with water, the aggregate is considered saturated and surface-dry. If left in dry air, water will evaporate until the...
When all pores in an aggregate are filled with water, the aggregate is considered saturated and surface-dry. If left in dry air, water will evaporate until the...
416
Intermolecular Forces and Physical Properties
22.6K
22.6K
Pore Transport and Ion-Pair Transport
653
Pore transport and ion-pair formation are critical mechanisms for the absorption and distribution of drugs in the body.
Pore transport, also known as convective transport, is a process where small molecules like urea, water, and sugars rapidly cross cell membranes as though there were channels or pores in the membrane. Although direct microscopic evidence is limited but the concept of pores or channels is widely accepted based on physiological evidence. Despite the lack of direct...
Pore transport, also known as convective transport, is a process where small molecules like urea, water, and sugars rapidly cross cell membranes as though there were channels or pores in the membrane. Although direct microscopic evidence is limited but the concept of pores or channels is widely accepted based on physiological evidence. Despite the lack of direct...
653
Factors Affecting Dissolution: Drug pKa, Lipophilicity and GI pH
2.0K
Drug absorption within the gastrointestinal (GI) tract is a complex process influenced by several critical factors, including the site pH, the drug's dissociation constant (pKa), and the drug's lipophilicity. The GI tract exhibits a pH gradient, with an acidic environment in the stomach and a more alkaline environment in the small intestine. This pH variation directly affects the ionization state of drugs.
A drug's pKa and the pH of the gastrointestinal (GI) tract play crucial roles...
A drug's pKa and the pH of the gastrointestinal (GI) tract play crucial roles...
2.0K


