Volume and Surface Distribution Heterogeneity of Nano-pore in Coal Samples by CO2 and N2 Adsorption Experiments

In this paper,the heterogeneity of adsorption pores in middle and high rank coal samples were analyzed by using low temperature N2 and CO2 adsorption technology and fractal theory.The following results were achieved.1)According to the results of volume and surface fractal dimension,meso-pores can be classified into Mep-1,Mep-2,and Mep-3,respectively.Micro-pore can be classified into Mip-1,Mip-2,and Mip-3,respectively.2)Pore types play an important role in affecting the heterogeneity of meso-pores.The volume heterogeneity(VHY)of Mep-1 is simpler than that of Mep-2 and Mep-3 in type A samples.However,the VHY of Mep-1 becomes gradually larger than that of Mep-2 and Mep-3 from type A to type B and C.The VHY of open pore in the same diameter is higher than that of semi-open or closed pore.Meanwhile,the surface heterogeneity(SHY)of types A and B samples is significantly larger than that of type C,the SHY of semi-open or closed pores is more complicated than that of open pores.3)Coal rank mainly affects the heterogeneity of micro-pores.The heterogeneity of type A is always smaller than that of type B and C.The VHY of Mip-1 is more complicated than that of Mip-2 and Mip-3 in the same samples,and the sensitivity of the VHY of Mip-1 and Mip-2 to the degree of coal rank is smaller than that of Mip-3.Meanwhile,the SHY of Mip-1 and Mip-2 is simpler than that of Mip-3 in the same sample,the SHY of micro-pores remains stable as the pore size decreases,and the affect of coalification level on SHY decreases with the decrease in pore diameter.Full-scale fractal characterization has enabled quantitative characterization of adsorption pore properties and provided useful information with regards to the similarity of pore features in different coal reservoirs.

Pore characterization of different types of coal from coal and gas outburst disaster sites using low temperature nitrogen adsorption approach

To characterize the pore features of outburst coal samples and investigate whether outburst coal has some unique features or not, one of the authors, working as the member of the State Coal Mine Safety Committee of China, sampled nine outburst coal samples(coal powder and block) from outburst disaster sites in underground coal mines in China, and then analyzed the pore and surface features of these samples using low temperature nitrogen adsorption tests. Test data show that outburst powder and block coal samples have similar properties in both pore size distribution and surface area. With increasing coal rank, the proportion of micropores increases, which results in a higher surface area. The Jiulishan samples are rich in micropores, and other tested samples contain mainly mesopores, macropores and fewer micropores. Both the unclosed hysteresis loop and force closed desorption phenomena are observed in all tested samples. The former can be attributed to the instability of the meniscus condensation in pores,interconnected pore features of coal and the potential existence of ink-bottle pores, and the latter can be attributed to the non-rigid structure of coal and the gas affinity of coal.

An improved theoretical procedure for the pore-size analysis of activated carbon by gas adsorption

Amorphous carbon materials play a vital role in adsorbed natural gas(ANG) storage. One of the key issues in the more prevalent use of ANG is the limited adsorption capacity, which is primarily determined by the porosity and surface characteristics of porous materials. To identify suitable adsorbents, we need a reliable computational tool for pore characterization and, subsequently, quantitative prediction of the adsorption behavior. Within the framework of adsorption integral equation(AIE), the pore-size distribution(PSD) is sensitive to the adopted theoretical models and numerical algorithms through isotherm fitting. In recent years, the classical density functional theory(DFT) has emerged as a common choice to describe adsorption isotherms for AIE kernel construction. However,rarely considered is the accuracy of the mean-field approximation(MFA) commonly used in commercial software. In this work, we calibrate four versions of DFT methods with grand canonical Monte Carlo(GCMC) molecular simulation for the adsorption of CH_4 and CO_2 gas in slit pores at 298 K with the pore width varying from 0.65 to 5.00 nm and pressure from 0.2 to 2.0 MPa. It is found that a weighted-density approximation proposed by Yu(WDA-Yu) is more accurate than MFA and other non-local DFT methods. In combination with the trapezoid discretization of AIE, the WDA-Yu method provides a faithful representation of experimental data, with the accuracy and stability improved by 90.0% and 91.2%, respectively, in comparison with the corresponding results from MFA for fitting CO_2 isotherms. In particular, those distributions in the feature pore width range(FPWR)are proved more representative for the pore-size analysis. The new theoretical procedure for pore characterization has also been tested with the methane adsorption capacity in seven activated carbon samples.

Monte Carlo simulation of methane molecule adsorption on coal with adsorption potential

The paper presents a Monte Carlo simulation to study the adsorption characteristics of methane molecule on coal slit pores from different aspects.Firstly,a physical model of adsorption and desorption of methane molecules on micropores was established.Secondly,a grand canonical ensemble was introduced as the Monte Carlo simulation system.Thirdly,based on the model and system,the molecule simulation program was developed with VC++6.0 to simulate the isothermal adsorption relationship between the amount of molecule absorption and the factors affecting it.Lastly,the numerically simulated results were compared with measured results of adsorption coal samples of two different coal mines with a laboratory gas absorption instrument.The results show that the molecule simulations of the adsorption constants,the adsorption quantity,and the isothermal adsorption curve at the same and different coal temperatures were in good agreement with those measured in the experiments,indicating that it is feasible to use the established model and the Monte Carlo molecule simulation to study the adsorption characteristics of methane molecules in coal.

Deformed coal types and pore characteristics in Hancheng coalmines in Eastern Weibei coalfields

Based on SEM observance,the methods of low-temperature nitrogen and isothermal adsorption were used to test and analyze the coal samples of Hancheng,and pore structure characteristics of tectonic coals were discussed.The results indicate that in the same coal rank,stratification and crack are well developed in cataclastic coal,which is mostly filled by mineral substance in the geohydrologic element abundance,results in pore connectivity variation.Granulated and mylonitic coal being of these characteristics,as develop microstructures and exogenous fractures as well as large quantity of pores resulted from gas generation and strong impermeability,stimulate the recovery of seepage coal,improve coal connectivity and enhance reservoir permeability.Absorption pore(micro-pore) is dominant in coal pore for different coal body structure,the percentage of which pore aperture is from 1 to 100 nm is 71.44% to 88.15%,including large of micro-pore with the 74.56%-94.70%;with the deformation becoming more intense in the same coal rank,mesopore enlarge further,open-end pores become thin-neck-bottle-shaped pores step by step,specific surface area of micro-pore for cataclastic coal is 0.0027 m 2 /g,while mylonitic coal increases to 7.479 m 2 /g,micro-pore gradually play a dominant role in effecting pore structural parameters.

Preparation and Ammonia Adsorption Performance of Titanium Phosphonate Adsorbent Materials with Hierarchically Porous Structure

Titanium phosphonate adsorbent materials with hierarchically porous structure were fabricated using the hydrolysis of tetrabutyl titanate in different organophosphonic acids solutions. Based on the macroporous structure of 100-2000 nm in size, a worm-hole like mesostructure was in the macropore walls, which was supported by the scanning electron microscopy（SEM）, transmission electron microscopy（TEM）, and N2 sorption analysis. Fourier transform infrared spectroscopy（FT-IR） data indicated the organic groups inside the solid materials framework. NH3 adsorption detection was performed using titanium phosphonate adsorbent materials and some significant results were obtained. The adsorption mechanism was also discussed in this study. Large adsorption amount（75.2 mg/g） was mainly attributed to the acid site via acid-base reactions and the physical adsorption site via Van der Waals forces. Resultant materials could effectively restrain the desorption of adsorbent NH3 back into air causing secondary pollution, so it could make a promising potential use in decontamination of gas pollutants in the future.

Estimating the combined toxicity of flufenacet and imazaquin to sorghum with pore water herbicide concentration

Combined toxicity of herbicides to non-target crops is usually resulted from their successive application.The present study was conducted to assess the combined toxicity of flufenacet（FLU）and imazaquin（IMA）to sorghum with their concentration in soil pore water.The concentrations that inhibited growth by 50%（IC50）of FLU and IMA individually and their combination estimated from the herbicide concentrations in soil pore water notably differed from those based on the amended concentrations,due to the decline in bioavailability resulting from adsorption of the herbicides onto soil.According to the amended concentrations,the combined effect of FLU and IMA in soil on sorghum growth was identified as additive action.Based on the concentration in soil pore water,however,it was determined to be antagonism,which was identical to that observed in a test using culture solution.The results revealed that pore water herbicide concentration might be an effective tool to assess the combined toxicity of herbicides in soil to rotational crops.