scholarly journals Effect of Kerogen Thermal Maturity on Methane Adsorption Capacity: A Molecular Modeling Approach

Molecules ◽  
2020 ◽  
Vol 25 (16) ◽  
pp. 3764 ◽  
Author(s):  
Saad Alafnan ◽  
Theis Solling ◽  
Mohamed Mahmoud
Keyword(s):  
Molecular Modeling ◽  
Adsorption Capacity ◽  
Gas Adsorption ◽  
Material Balance ◽  
Methane Adsorption ◽  
Source Rocks ◽  
Thermal Maturity ◽  
Reserve Estimation ◽  
Adsorbed Gas ◽  
Key Factor

The presence of kerogen in source rocks gives rise to a plethora of potential gas storage mechanisms. Proper estimation of the gas reserve requires knowledge of the quantities of free and adsorbed gas in rock pores and kerogen. Traditional methods of reserve estimation such as the volumetric and material balance approaches are insufficient because they do not consider both the free and adsorbed gas compartments present in kerogens. Modified versions of these equations are based on adding terms to account for hydrocarbons stored in kerogen. None of the existing models considered the effect of kerogen maturing on methane gas adsorption. In this work, a molecular modeling was employed to explore how thermal maturity impacts gas adsorption in kerogen. Four different macromolecules of kerogen were included to mimic kerogens of different maturity levels; these were folded to more closely resemble the nanoporous kerogen structures of source rocks. These structures form the basis of the modeling necessary to assess the adsorption capacity as a function of the structure. The number of double bonds plus the number and type of heteroatoms (O, S, and N) were found to influence the final configuration of the kerogen structures, and hence their capacity to host methane molecules. The degree of aromaticity increased with the maturity level within the same kerogen type. The fraction of aromaticity gives rise to the polarity. We present an empirical mathematical relationship that makes possible the estimation of the adsorption capacity of kerogen based on the degree of polarity. Variations in kerogen adsorption capacity have significant implications on the reservoir scale. The general trend obtained from the molecular modeling was found to be consistent with experimental measurements done on actual kerogen samples. Shale samples with different kerogen content and with different maturity showed that shales with immature kerogen have small methane adsorption capacity compared to shales with mature kerogen. In this study, it is shown for the first time that the key factor to control natural gas adsorption is the kerogen maturity not the kerogen content.

scholarly journals Changes in Pore Structure of Coal Caused by CS2 Treatment and Its Methane Adsorption Response

Geofluids ◽  
2018 ◽  
Vol 2018 ◽  
pp. 1-11 ◽  
Author(s):  
Run Chen ◽  
Yong Qin ◽  
Pengfei Zhang ◽  
Youyang Wang
Keyword(s):  
Pore Structure ◽  
Adsorption Capacity ◽  
Gas Adsorption ◽  
Recovery Process ◽  
Micropore Volume ◽  
Methane Adsorption ◽  
Coal Bed ◽  
Methane Recovery ◽  
Before And After ◽  
Key Issues

The pore structure and gas adsorption are two key issues that affect the coal bed methane recovery process significantly. To change pore structure and gas adsorption, 5 coals with different ranks were treated by CS2 for 3 h using a Soxhlet extractor under ultrasonic oscillation conditions; the evolutions of pore structure and methane adsorption were examined using a high-pressure mercury intrusion porosimeter (MIP) with an AutoPore IV 9310 series mercury instrument. The results show that the cumulative pore volume and specific surface area (SSA) were increased after CS2 treatment, and the incremental micropore volume and SSA were increased and decreased before and after Ro,max=1.3%, respectively; the incremental big pore (greater than 10 nm in diameter) volumes were increased and SSA was decreased for all coals, and pore connectivity was improved. Methane adsorption capacity on coal before and after Ro,max=1.3% also was increased and decreased, respectively. There is a positive correlation between the changes in the micropore SSA and the Langmuir volume. It confirms that the changes in pore structure and methane adsorption capacity due to CS2 treatment are controlled by the rank, and the change in methane adsorption is impacted by the change of micropore SSA and suggests that the changes in pore structure are better for gas migration; the alteration in methane adsorption capacity is worse and better for methane recovery before and after Ro,max=1.3%. A conceptual mechanism of pore structure is proposed to explain methane adsorption capacity on CS2 treated coal around the Ro,max=1.3%.

Thermal maturity and reservoir quality of the Velkerri Formation, Beetaloo Sub-basin, Northern Territory

2020 ◽  
Vol 60 (2) ◽  
pp. 697
Author(s):  
Claudio Delle Piane ◽  
I. Tonguç Uysal ◽  
Mohinudeen Faiz ◽  
Zhejun Pan ◽  
Julien Bourdet ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Gas Permeability ◽  
Light And Electron Microscopy ◽  
Organic Content ◽  
Northern Territory ◽  
Thermal Maturity ◽  
Microscopy Imaging ◽  
Petroleum Systems ◽  
Adsorbed Gas

The Proterozoic (~1.43 Ga) Velkerri Formation (McArthur Basin, Northern Territory) is believed to host one of the world’s oldest petroleum systems. Drilling and production tests demonstrated the encouraging potential of this unconventional gas resource and current efforts are aimed at better defining the extent of the gas and liquid-rich portions of this shale play. In this context, we conducted a comprehensive characterisation of specimens from the Amungee Member of the Velkerri Formation (previously referred to as the Middle Velkerri) sampled along a thermal maturity gradient from wells drilled across the Beetaloo Sub-basin. The scope of our analysis was to shed light on how the organic matter in the Velkerri Formation is affected by thermal maturity and how this affects the pore structure of the host rock. To this end, we integrated light and electron microscopy imaging with Raman spectroscopy and pyrolysis techniques to define the maturity of the sediments and visualise the shale pore network. In concert with the direct imaging, bulk samples were experimentally tested to measure their gas permeability and gas adsorption capacity. The results indicate that porosity is mostly organic-hosted with pore size dominated by meso- and micro-pores (i.e. <50 nm). Methane adsorption isotherms measured at temperatures up to 80°C also show that organic content is one of the main factors controlling the amount of adsorbed gas in the Velkerri shale.

scholarly journals Predicting the Features of Methane Adsorption in Large Pore Metal-Organic Frameworks for Energy Storage

Nanomaterials ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 818 ◽  
Author(s):  
George Manos ◽  
Lawrence Dunne
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
Methane Adsorption ◽  
Energy Applications ◽  
Adsorbed Gas ◽  
Theoretical Approaches ◽  
Large Pore ◽  
Metal Organic ◽  
Computer Simulation Studies

Currently, metal-organic frameworks (MOFs) are receiving significant attention as part of an international push to use their special properties in an extensive variety of energy applications. In particular, MOFs have exceptional potential for gas storage especially for methane and hydrogen for automobiles. However, using theoretical approaches to investigate this important problem presents various difficulties. Here we present the outcomes of a basic theoretical investigation into methane adsorption in large pore MOFs with the aim of capturing the unique features of this phenomenon. We have developed a pseudo one-dimensional statistical mechanical theory of adsorption of gas in a MOF with both narrow and large pores, which is solved exactly using a transfer matrix technique in the Osmotic Ensemble (OE). The theory effectively describes the distinctive features of adsorption of gas isotherms in MOFs. The characteristic forms of adsorption isotherms in MOFs reflect changes in structure caused by adsorption of gas and compressive stress. Of extraordinary importance for gas storage for energy applications, we find two regimes of Negative gas adsorption (NGA) where gas pressure causes the MOF to transform from the large pore to the narrow pore structure. These transformations can be induced by mechanical compression and conceivably used in an engine to discharge adsorbed gas from the MOF. The elements which govern NGA in MOFs with large pores are identified. Our study may help guide the difficult program of work for computer simulation studies of gas storage in MOFs with large pores.

scholarly journals Experimental study on the influence of aerated gas pressure and confining pressure on low-rank coal gas adsorption process

2021 ◽  
pp. 014459872110310
Author(s):  
Ming Yang ◽  
Gaini Jia ◽  
Jianliang Gao ◽  
Jiajia Liu ◽  
Xuebo Zhang ◽  
...  
Keyword(s):  
Adsorption Capacity ◽  
Coal Sample ◽  
Adsorption Process ◽  
Gas Adsorption ◽  
Confining Pressure ◽  
Gas Pressure ◽  
Pressure Point ◽  
Adsorbed Gas ◽  
Confining Pressures ◽  
Total Adsorption

To deeply study the variation characteristics of the gas content in the process of gas adsorption for coal samples under different gas pressures and confining pressures, low-field nuclear magnetic resonance technology was used to carry out experimental research on the gas adsorption of coal. The relationship between the T2 spectrum amplitude integral and the gas quantity was analyzed. The results show the following: (1) When the samples were inflated for 11 h at each gas pressure point (0.31, 0.74, 1.11, and 1.46 MPa), after ∼5 h of adsorption, the amount of adsorbed gas exceeded 85.0% of the total adsorption capacity; additionally, as the adsorption time increased, the amount of adsorbed gas gradually tended to stabilize. When the gas pressure was >1 MPa, the amount of adsorbed gas exceeded 90.0% of the total adsorption capacity; Higher the pressure of aerated gas, greater the gas pressure gradient or concentration gradient on the surface of the coal sample and the greater the driving force for gas molecules to seep or diffuse into the coal sample. (2) When the samples were inflated for 11 h at each confining pressure point (3, 4, 5, and 7 MPa), the adsorbed gas increased by ∼85.0% of the total adsorbed gas in the first 5 h. When the pressure was <5 MPa, the amount of adsorbed gas exceeded 85.0% of the total amount of adsorption; that is, the increase in adsorbed gas was the largest at ∼5 h in the adsorption process for the columnar coal sample under different confining pressures, and the increase was ∼5.0% from 7–11 h. When the large pores in the coal sample closed, the amount of gas that seeped into the deep part of the coal sample within the same aeration time was reduced.

scholarly journals Application of a Modified Low-Field NMR Method on Methane Adsorption of Medium-Rank Coals

Geofluids ◽  
2021 ◽  
Vol 2021 ◽  
pp. 1-16
Author(s):  
Xiaozhen Chen ◽  
Taotao Yan ◽  
Fangui Zeng ◽  
Yanjun Meng ◽  
Jinhua Liu
Keyword(s):  
Adsorption Capacity ◽  
Coalbed Methane ◽  
Gas Adsorption ◽  
Vitrinite Reflectance ◽  
Methane Adsorption ◽  
Coal Rank ◽  
Nmr Method ◽  
Low Field ◽  
Low Field Nmr ◽  
The Absolute

Methane adsorption capacity is an important parameter for coalbed methane (CBM) exploitation and development. Traditional examination methods are mostly time-consuming and could not detect the dynamic processes of adsorption. In this study, a modified low-field nuclear magnetic resonance (NMR) method that compensates for these shortcomings was used to quantitatively examine the methane adsorption capacity of seven medium-rank coals. Based on the typical T 2 amplitudes obtained from low-field NMR measurement, the volume of adsorbed methane was calculated. The results indicate that the Langmuir volume of seven samples is in a range of 18.9–31.85 m3/t which increases as the coal rank increases. The pore size in range 1-10 nm is the main contributor for gas adsorption in these medium-rank coal samples. Comparing the adsorption isotherms of these coal samples from the modified low-field NMR method and volumetric method, the absolute deviations between these two methods are less than 1.03 m3/t while the relative deviations fall within 4.76%. The absolute deviations and relative deviations decrease as vitrinite reflectance ( R o ) increases from 1.08% to 1.80%. These results show that the modified low-field NMR method is credible to measure the methane adsorption capacity and the precision of this method may be influenced by coal rank.

Effect of Organic Matter and Thermal Maturity on Methane Adsorption Capacity on Shales from the Middle Magdalena Valley Basin in Colombia

2017 ◽  
Vol 31 (11) ◽  
pp. 11698-11709 ◽  
Author(s):  
Olga Patricia Ortiz Cancino ◽  
Deneb Peredo Mancilla ◽  
Manuel Pozo ◽  
Edgar Pérez ◽  
David Bessieres
Keyword(s):  
Organic Matter ◽  
Adsorption Capacity ◽  
Methane Adsorption ◽  
Thermal Maturity

scholarly journals Effect of Pre-Adsorbed Water on Methane Adsorption Capacity in Shale-Gas Systems

2021 ◽  
Vol 9 ◽  
Author(s):  
Lei Chen ◽  
Zhenxue Jiang ◽  
Shu Jiang ◽  
Song Guo ◽  
Jingqiang Tan
Keyword(s):  
Relative Humidity ◽  
Adsorption Capacity ◽  
Shale Gas ◽  
Evaluation Method ◽  
Gas Adsorption ◽  
Water Saturation ◽  
Adsorbed Water ◽  
Lower Jurassic ◽  
Methane Adsorption ◽  
Gas Content

The presence and content of water will certainly affect the gas adsorption capacity of shale and the evaluation of shale gas content. In order to reasonably evaluate the gas adsorption capacity of shale under actual reservoir conditions, the effect of water on methane adsorption capacity needs to be investigated. Taking the Da’anzhai Member of the Lower Jurassic Ziliujing Formation in the northeastern Sichuan Basin, China as an example, this study attempts to reveal the effect of pre-adsorbed water on methane adsorption capacity in shale-gas systems by conducting methane adsorption experiments in two sequences, firstly at different temperatures under dry condition and secondly at different relative humidity levels under the same temperature. The results show that temperature and relative humidity (i.e., water saturation) are the main factors affecting the methane adsorption capacity of shale for a single sample. The key findings of this study include: 1) Methane adsorption capacity of shale first increases then decreases with depth, reaching a peak at about 1,600–2,400 m. 2) Lower relative humidity correlates to greater maximum methane adsorption capacity and greater depth to reach the maximum methane adsorption capacity. 3) 20% increase of relative humidity results in roughly 10% reduction of maximum methane adsorption capacity. As a conclusion, methane adsorption capacity of shale is predominately affected by water saturation, pore type and pore size of shale. This study could provide a theoretical basis for the establishment of a reasonable evaluation method for shale adsorbed gas content.

scholarly journals Clarifying the Effect of Clay Minerals on Methane Adsorption Capacity of Marine Shales in Sichuan Basin, China

Energies ◽  
2021 ◽  
Vol 14 (20) ◽  
pp. 6836
Author(s):  
Hongyan Wang ◽  
Shangwen Zhou ◽  
Jiehui Zhang ◽  
Ziqi Feng ◽  
Pengfei Jiao ◽  
...  
Keyword(s):  
Water Absorption ◽  
Adsorption Capacity ◽  
Clay Minerals ◽  
Mineral Composition ◽  
Sichuan Basin ◽  
Gas Adsorption ◽  
Methane Adsorption ◽  
Pore Characteristics ◽  
Surface Areas ◽  
Marine Shale

The effect of clay minerals on the methane adsorption capacity of shales is a basic issue that needs to be clarified and is of great significance for understanding the adsorption characteristics and mechanisms of shale gas. In this study, a variety of experimental methods, including XRD, LTNA, HPMA experiments, were conducted on 82 marine shale samples from the Wufeng–Longmaxi Formation of 10 evaluation wells in the southern Sichuan Basin of China. The controlling factors of adsorption capacities were determined through a correlation analysis with pore characteristics and mineral composition. In terms of mineral composition, organic matter (OM) is the most key methane adsorbent in marine shale, and clay minerals have little effect on methane adsorption. The ultra-low adsorption capacity of illite and chlorite and the hydrophilicity and water absorption ability of clay minerals are the main reasons for their limited effect on gas adsorption in marine shales. From the perspective of the pore structure, the micropore and mesopore specific surface areas (SSAs) control the methane adsorption capacity of marine shales, which are mainly provided by OM. Clay minerals have no relationship with SSAs, regardless of mesopores or micropores. In the competitive adsorption process of OM and clay minerals, OM has an absolute advantage. Clay minerals become carriers for water absorption, due to their interlayer polarity and water wettability. Based on the analysis of a large number of experimental datasets, this study clarified the key problem of whether clay minerals in marine shales control methane adsorption.

scholarly journals Impact of tectonic deformation on coal methane adsorption capacity

2019 ◽  
Vol 37 (9-10) ◽  
pp. 698-708
Author(s):  
Wu Li ◽  
Bo Jiang ◽  
Yan-Ming Zhu
Keyword(s):  
Adsorption Capacity ◽  
Gas Adsorption ◽  
Structural Parameters ◽  
Methane Adsorption ◽  
Tectonic Deformation ◽  
Chemical Structures ◽  
C 50 ◽  
Coal Macerals ◽  
Increasing Temperature ◽  
Physical And Chemical

Tectonic deformation can cause significant changes in the physical and chemical structures of coal by damaging the macrostructure and macromolecular composition. For thorough research on the coal tectonic deformation impacts on gas adsorption capacity, this paper collected and summarized the parameters of experimental adsorption isotherms and coal macerals, conducted proximate and ultimate analyses, and systematically discussed the adsorption properties of different structures of coals and the influence of temperature and pressure on coal adsorption. Furthermore, the semi-quantitative relationships between the structural parameters of coal and its methane adsorption capacity are explored. The results show that (1) due to different tectonic stresses, the molecular and porous structures of different types of tectonic coal exhibit significant differences (e.g. sample N25, which is in a fault zone, has the highest methane adsorption capacity), and (2) coal methane adsorption capacity decreases along with increasing temperature. At a pressure of 12 MPa, primary coal (N32) showed Langmuir volume (VL) values of 15.38, 9.58, and 7.86 cm3/g and Langmuir pressure (PL) values of 3.82, 2.07, and 1.81 MPa at temperatures of 30°C, 50°C, and 70°C, respectively. (3) The Langmuir volume appears to have a linear relationship with parameters ID1/IG, Al/OX, and A-factor, as well as a parabolic curve relationship with fa, thereby illustrating that increases of apparent aromaticity can raise CH4 adsorption on coal.

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