Effect of voltage gradients on EK-PRB remediation: Experimental and molecular dynamics simulations.

Electrokinetic-Permeable Reaction Barrier (EK-PRB) coupled remediation technology can effectively treat heavy metal-contaminated soil near coal mines. This study was conducted on cadmium (Cd), a widely present element in the soil of the mining area. To investigate the impact of the voltage gradient on the remediation effect of EK-PRB, the changes in current, power consumption, pH, and Cd concentration content during the macroscopic experiment were analyzed. A three-dimensional visualized kaolinite-heavy metal-water simulation system was constructed and combined with the Molecular Dynamics (MD) simulations to elucidate the migration mechanism and binding active sites of Cd on the kaolinite (001) crystalline surface at the microscopic scale. The results showed that the voltage gradient positively correlates with the current, power consumption, and Cd concentration during EK-PRB remediation, and the average removal efficiency increases non-linearly with increasing voltage gradient. Considering power consumption, average removal efficiency, and cost-effectiveness, the voltage range is between 1.5 and 3.0 V/cm, with 2.5 V/cm being the optimal value. The results of MD simulations and experiments correspond to each other. Cd2+ formed a highly stable adsorption structure in contrast to the Al-O sheet on the kaolinite (001) crystalline surface. The mean square displacement (MSD) curve of Cd2+ under the electric field exhibits anisotropy, the total diffusion coefficient DTotal increases and the Cd2+ migration rate accelerates. The electric field influences the microstructure of Cd2+ complexes. With the enhancement of the voltage gradient, the complexation between Cd2+ and water molecules is enhanced, and the interaction between Cd2+ and Cl- in solution is weakened.

Characterization of Pore Structures with Mercury Intrusion Porosimetry after Electrochemical Modification: A Case Study of Jincheng Anthracite.

Quantitative characterization of the change in the cleat and pore structures and fractal dimensions in anthracite after electrochemical modification is crucial for better understanding of the modification effect. Thus, lump anthracite samples were electrochemically modified in our manufactured device with 0, 0.5, 1, and 2 V/cm potential gradients. The changes in heterogeneity and porosity after modification were tested and analyzed by mercury intrusion porosimetry (MIP) and fractal theory. The results indicated that the total volume of the pores increased after electrochemical treatment and continuously increased with increasing potential gradient during the treatment process. After modification, the number of pores or fractures with a pore size between 6 and 20 µm in coal after modification increases significantly. According to the intrusion pressure, three stages were defined as lower (P M < 0.1 MPa), intermediate (0.1 ≤ P M < 10 MPa), and higher regions (P M ≥ 10 MPa), which are characterized by fractal dimensions D 1, D 2, and compression stages, respectively. After modification, the fractal dimension D 1 showed an increasing trend, while the fractal dimension D 2 showed a decreasing trend, indicating that the fracture system became more complicated and that the pore system became more regular after electrochemical treatment. The evolution mechanism of heterogeneity and porosity and their fractal dimensions were explained by the dissolution of minerals, change in pH values, and dynamics of temperatures during the process of modification. The results obtained in this work are of important guiding significance for coalbed methane (CBM) extraction via in situ modification by electrochemical treatment.

Response of Molecular Structures and Methane Adsorption Behaviors in Coals Subjected to Cyclical Microwave Exposure.

To better understand the methane adsorption behavior after microwave exposure, the importance of quantitatively characterizing the effect of cyclical microwave exposure on the molecular structures of coals cannot be overemphasized, with implications for enhancing coalbed methane (CBM) extraction. Thus, cyclical microwave exposure experiments of three different metamorphic coals were conducted, and the methane adsorption capacity before and after each microwave exposure (10 in total) for 120 s was evaluated. Fourier transform infrared spectroscopy analysis and peak fitting technology were applied to quantitatively characterize the changes in the structural parameters of coal molecules. The results showed that after modification, the structural parameters like aromatic carbon fraction (f a-F), aromaticity (I 1 and I 2), degree of condensation (DOC 1 and DOC 2), and the maturity of organic matter ("C") gradually increased with increasing exposure times, while the length of the aliphatic chain or its branching degree (CH 2/CH 3) and the hydrocarbon generating capacity ("A") showed a decreasing trend. The Langmuir volume (V L) of three different rank coal samples decreased from 29.2, 32.8, and 40.4 mL/g to 25.7, 29.3, and 35.7 mL/g, respectively; the Langmuir pressure (P L) increased from 0.588, 0.844, and 0.942 MPa to 0.626, 1.007, and 1.139 MPa, respectively. The modification mechanism was investigated by analyzing the relationship between the methane adsorption behaviors and molecular structures in coals. The release of alkane side chains and the oxidation of oxygen-containing functional groups caused by microwave exposure decreased the number of methane adsorption sites. As a result, the methane adsorption capability decreased. In addition, the decomposition of minerals affects methane adsorption behaviors in coals. This work provides a basis for microwave modification of coal as well as in situ enhancement of CBM extraction using microwave exposure.

Effect of Cyclical Microwave Modification on the Apparent Permeability of Anthracite: A Case Study of Methane Extraction in Sihe Mine, China.

The application of cyclical microwave modification for accelerating the extraction of coalbed methane (CBM) from anthracite is limited. In this study, the apparent permeability of anthracite samples before and after each microwave treatment (three in total) for 120 s was measured by a self-built permeability-testing platform. Microcomputed tomography (micro-CT) technology and image-processing technology were employed to analyze the 3D micron-scale pore structures, especially the quantitative characterization of connected pores and throats. After modification, the average apparent permeability increased from 0.6 to 5.8 × 10-3 µm2. The generation, expansion, and connection of micron-scale pores and fractures became more obvious with each treatment. The total porosity increased from 3.5 to 6.2%, the connected porosity increased from 0.9 to 4.8%, and the porosity of isolated pores decreased from 2.5 to 1.4% after three cycles. The number, volume, and surface area of the connected pores as well as the number, radius, and surface area of the throats were significantly increased. In addition, the release of alkyl side chains from the anthracite surface reduced the capacity of the anthracite to adsorb CH4 and the decomposition of minerals promoted the development and connectivity of pores. As a result, the gas seepage channels have been greatly improved. This work provides a basis for micron-scale pore characterization after cyclical microwave modification and contributes to CBM extraction.