Pore Types Research Articles

Development of tunable porous alumina monolith using hollow microspheres via extrusion-based 3D printing

Hierarchical cellular ceramics have attracted considerable interest due to their versatility and unique physico-mechanical effectiveness for advanced applications. Tailorable alumina foams with low shrinkage were fabricated through an innovative combination of 3D printing and sacrificial templating with low environmental footprint. The viscoelastic pastes were formulated using the aqueous-based solution of binder, dispersant, and plasticizer with different volumes of α-alumina and lightweight hollow microspheres (HMs) as a template. The solid-to-liquid ratio increased 53–80 vol% with the inclusion of HMs for printable rheology. Cellular architectures of alumina were structured through a material extrusion-based technique and then thermally treated at 1200 °C. Finally, the alumina monoliths achieved a ∼55–93 % porosity with three different types of adjustable pores, produced by combining 3D printing, burning of templates, and inter-particle voids. The HMs generated spherical pores (7–47 µm) in the printing struts with reduced CO2 emissions compared to conventional sacrificial porogens during the burnout process.

Molecular simulations of hydrogen diffusion in underground porous media: Implications for storage under varying pressure, confinement, and surface chemistry conditions

Assessing the feasibility of porous formations for hydrogen geo-storage demands a comprehensive understanding of hydrogen (H2) transport behavior in porous media at subsurface conditions. In this study, we employ molecular dynamics simulations to evaluate the effects of pressure (20–500 atm), pore size (2–20 nm), and surface composition on H2 diffusion and interactions within organic and inorganic slit pores. Our analysis of H2 density profiles and interaction energies reveals a distinct preference for H2 molecules to adsorb more readily onto graphene surfaces than kaolinite surfaces. However, self-diffusion results demonstrate that H2 molecules interact relatively weakly with both substrate types. Further insights are provided by velocity autocorrelation functions, emphasizing the occurrence of wall-mediated collisions as H2 molecules diffuse along the pore surfaces, particularly within kaolinite. This highlights the significance of surface roughness in mitigating H2 loss via diffusion in subsurface nanopores, given the small molecular size of H2 and its limited interactions with both organic and inorganic materials. Furthermore, the results demonstrate that self-diffusion coefficients in both pore types increase with pore size and decrease with pressure. Notably, surface composition plays a critical role in low-pressure environments, with self-diffusion coefficients beginning to converge beyond a pressure of 100 atm. Self-diffusion coefficients also become less sensitive to slit aperture beyond a pressure of 50 atm. In high-pressure environments, hydrogen transport is governed by thermal collisions between gas molecules, leading to negligible property variations between pore types. These findings hold significance in the investigation of efficient H2 storage within porous media and caprock formations.

New insights into estimating the cementation exponent of the tight and deep carbonate pore systems via rigorous numerical strategies

One of the main constituents of any reservoir characterization is an accurate forecast of water saturation, which is highly dependent upon the cementation exponent. Even though there have been a lot of studies, the most common correlations depend on total porosity. This means that they do not work as well in heterogeneous carbonate reservoirs, especially tight formations with total porosities less than 10%. This study aims to develop accurate and universal models for estimating the cementation exponent in deep and tight carbonate pore systems located in West Asia. Two heuristic algorithms, including the radial basis function neural network optimized by ant colony optimization (RBFNN-ACO) and gene expression programming (GEP), were employed to calculate the cementation exponent. To do this, we prepared a databank incorporating cementation exponents, total porosity, and various pore types. Then, the databank is classified into the test subset (for model prediction checking) and the train subset (for model construction). The reliability of the new recommended models is inspected by applying several statistical quality measures associated with graphical analyses. So, the consequences of the modeling disclose the large precision of the above-mentioned RBFNN-ACO, GEP Model-I, and GEP Model-II by average absolute percentage relative deviations (AAPRD%) of 6.28%, 6.39%, and 7.45%, respectively. Based on the outliers analysis, nearly 95% of the databank and model estimations are, respectively, valid and reliable. Additionally, the three input variables, including moldic porosity (with a + 70% impact value), non-fabric-selective dissolution (connected) porosity (with a -30% impact value), and interparticle porosity (with a -23% impact value), exhibit the main affecting parameters on the cementation exponent. Comparing current results with traditional literature correlations demonstrates the supremacy of the RBFNN-ACO model (AAPRD = 6.28% and root mean squared error (RMSE) = 0.17) over the examined literature correlations such as Borai’s equation (AAPRD = 12.30% and RMSE = 0.41). In addition, RBFNN-ACO can give better results than Borai’s Eqn. for tight (porosity less than 10%) and deep carbonate samples.

Analyzing the impact of geological features on reservoir heterogeneity using heterogeneity logs: A case study of Permian reservoirs in the Persian Gulf

Carbonate reservoir heterogeneity has a major impact on fluid flow and hydrocarbon recovery. It is challenging to characterize due to the complex and heterogeneous nature of carbonate reservoirs. It is important to express heterogeneity as a quantitative parameter for comparing various reservoirs. It can also be used for investigating the influence of different factors on the degree of heterogeneity. Heterogeneity log is one of the effective methods for quantifying heterogeneity. The aim of the present study is to investigate the application of heterogeneity log to determine the geological features affecting heterogeneity in Upper Dalan Member (Late Permian) in the central Persian Gulf. The gamma ray, bulk density, neutron porosity, acoustic, and deep resistivity well logs data were used to calculate the heterogeneity logs. A total of 1093 thin sections were studied and primary depositional as well as secondary diagenetic changes were recorded. Porosity and permeability of the same number of samples were measured on the plugs. Heterogeneity logs were calculated by Lorenz coefficient method. The changes in heterogeneity logs were classified into different ranges and compared with frequency of geological features in corresponding intervals. Findings show that heterogeneity logs can help identify areas of the reservoir with distinct reservoir behavior (permeability and/or porosity). These areas can be targeted for increased oil and gas production. This can help reduce exploration and development costs. Dolomite samples are observed in both low and high heterogeneity values. Anhydrite lithology reduces porosity and increases heterogeneity. High heterogeneity values correspond with mudstone texture from supratidal, peritidal, and lagoon subenvironments with low porosity. Grainstone textures from shoal subenvironment and crystalline carbonates are associated with low values of heterogeneity. These microfacies have high porosity and permeability as well as a high rate of marine cementation. Also, interparticle and moldic pores along with stylolites and fractures are observed in low values of heterogeneity. The increase in the ratio of pore space to the solid component of samples has resulted in a reduction in the value of heterogeneity. By creating different subenvironments with different microfacies and average porosities, environmental energy controls the heterogeneity of the studied member. Therefore, the amount of heterogeneity is mainly controlled by two factors namely, porosity and pore type.

An enhancement in the petrophysical evaluation in a vuggy carbonate gas reservoir by integrating the core data and empirical methods, Zagros basin, south of Iran

The presence of vuggy pore types poses challenges in accurately assessing effective porosity. This study focuses on the significant scientific issue of improving petrophysical evaluation in vuggy carbonate gas reservoirs. The Kangan Formation is one of the main gas reservoir formations in the southern Zagros region, Iran. The main objective of the current research is to distinguish and exclude the influence of vuggy pore types from effective porosity in the reservoir pay zones of the Kangan reservoir.In the current research, a combination of full suite logs, image logs, core analysis, and thin section studies was employed. The image logs illustrate that vuggy porosity is abundant in the Kangan Formation and these results are confirmed by the available core thin sections, specifically in Zone Kangan_B; Additionally, the cross plots of compressional velocity versus bulk density and total porosity, as a part of rock physics study, indicate the characteristics of the vuggy reservoir. Two methods are utilized to quantify vuggy porosity. The first method, the Velocity Deviation Log (VDL) approach, identifies various available pore types, especially vugs. The second method is a newly proposed approach that can exclude vuggy porosity from the computed effective porosity. In this novel approach, a variable porosity exponent (m) is derived by adopting the Lucia equation to exclude vuggy porosity from the effective porosity computations. Thus, petrophysical evaluation can be implemented based on the constant and variable “m”. Comparing both petrophysical results, it is evident that the amounts of effective porosity and water saturation are modified in the vuggy-bearing intervals. Applying the proposed approach will improve the accuracy of petrophysical properties and lead to the proper calculation of the hydrocarbon volume in the carbonate reservoir rocks containing isolated vugs, particularly in gas-bearing reservoirs where conventional logs are affected by gas contents.

Study on Electrical Characteristics and Formation Mechanism of Micro-Ion Capacitor in Shale Pore and Fracture Structure

Due to the micro/nanoscale and intricate pore structure, poor connectivity, complex pathways, the presence of microfractures, and the coexistence of organic and inorganic pores, shale and other tight reservoirs exhibit increasingly complex conductive characteristics. This paper mainly studied the electrical properties of shale based on experimental test data, including scanning electron microscope (SEM) thin-section and microtomography CT (μ-CT) images, and analyzed the shale pore type, pore structure characteristics, and development of fracture. Then, the distribution of pyrite, content, and graphitization of organics and their influence on the electrical properties are discussed. Furthermore, the double electrical layer and zeta potential in the shale zone were discussed in depth. The results revealed that, within the content of pyrite, organics, and its graphitization, the vitrinite maturity are inversely proportional to shale resistivity. It was also found that in the presence of an external electromagnetic field, the fluid in shale pores is subjected to the combined strength of pore pressure and external field potential difference. Thus, its response equation should be an improved Navier-Stokes equation, which considers pore pressure, zeta potential, and Coulomb force. When shale is subjected to an external electromagnetic field, due to the complex pores structure and organic and inorganic minerals, it will represent more of a dielectric-like property than electricity. So, it will form special microscopic ionic capacitors, which are different from common plate capacitors. There are three special kinds of microscopic ionic capacitors, they are (I) the intergranular pore microscopic ionic capacitor model, (II) the particle with isolated pore microscopic ionic capacitor model, and (III) the pyrite or graphite or other organics microscopic ionic capacitor model. Finally, the characteristics of microscopic ion capacitors are summarized: irregular polar area and varying distance between poles, varying charges with time, and salinity of the formation water.

Implications of the depositional and diagenetic attributes on the reservoir properties of the siliciclastic mangahewa formation, Taranaki Basin, New Zealand: Integrated petrographical and petrophysical studies

The siliciclastic Mangahewa reservoir in the Pohokura Gas Field presents a formidable challenge for gas exploration due to its diverse petrophysical properties. To address this challenge, our study employs a comprehensive approach integrating petrography and petrophysical analyses for core and well logging data. In the present study, we uncover an association of sandstone microfacies, in the key wells like Pohokura South-1, Pohokura-1, and Pohokura-2 wells, which change from fine to medium-grained subfeldsarenites to lithic feldsarenites microfacies. The petrographic investigation pinpoints the critical factors influencing the reservoir quality, including facies types, grain size, pore types, sedimentary structure, detrital clay content, and mineral composition. Both the primary intergranular and secondary dissolution pore spaces are responsible for the influential large intergranular pore volumes causing a superior reservoir quality. Mineral composition, influenced by the source and lithofacies, significantly impacts the reservoir properties. Diagenetic processes further control the reservoir quality, where the abundant silica cement, the illitic clays, and the rare pervasive carbonate cementation render the low reservoir quality. Compaction significantly reduces porosity during diagenesis. High-quality reservoir sandstones are characterized by coarse grain size, minimal detrital clay presence, predominantly quartz composition, limited carbonate and moderate silica cementation, low authigenic illite levels, and minor compaction impact. Based on the petrophysical data, the Mangahewa reservoir is composed of five RRTs (reservoir rock types) with the RRT1 samples having the best reservoir characteristics due to their fair porosity, very good permeability, and macro pore sizes. On the other side, the RRT5 samples are characterized by the lowest reservoir quality (poor porosity and permeability and micropore sizes) due to cementation and compaction. Our study provides valuable insights into the intricate petrophysical properties of the Mangahewa reservoir, enhancing the predictability of the reservoir behavior and optimizing hydrocarbon production in this challenging geological setting.

A novel rapid generation algorithm for Representative Volume Element (RVE) in composite materials considering pore geometrical parameters

Pore defects are inevitable in the manufacturing process and significantly affect the mechanical properties of composite materials. In this work, a novel algorithm capable of concurrently generating both ellipsoidal and gourd-shaped pores in composite materials is proposed and the interference detection procedure is optimized for efficient interference detection between the generated geometrical bodies. Besides, the algorithm is integrated with RVE-based finite element (FE) simulation to explore the effects of various pore types, volumes, aspect ratios, and porosity on the elastic properties of unidirectional C/C composites. The present work provides a valuable reference for generating general pore defects and investigating their resulting effects on mechanical properties of related composite structures.

Contrasting effects of waste glass and scheelite tailings additions upon the properties of tailings-based foam ceramics and its mechanisms

Although solid waste is a good raw material for preparing foam ceramics, the mechanisms of the discrepancies in different solid wastes affecting the properties of foam ceramics remain unelucidated. In this study, the properties of tin tailings-based foam ceramics with different proportions of waste glass (WG) or scheelite tailings (ST) were measured. Significant discrepancies in the influence effects were observed, with higher closed porosity for added WG and higher apparent porosity for added ST. To interpret this phenomenon, the effects of the main fluxing agents of the ST and WG were investigated, and the results indicated that their influence effects were controlled by the type and content of the fluxing agent. Furthermore, the structure and crystalline phase of foam ceramics demonstrated that their compressive strength was jointly driven by their microstructure and crystal phases, but other properties depended only on the microstructure. The pore size and type were significantly affected by the change in liquid phase characteristics and aluminosilicate, with the addition of WG dramatically decreasing the number of pore windows and the addition of ST increasing the content of anorthite. Further sintering process analysis results revealed that the chemical reactions in materials change with chemical compositions, which resulted in significant differences in the crystalline compositions of the foam ceramics for WG and ST additions, and the presence of WG obviously reduced the formation temperature of the liquid phase. Overall, our research provides a theoretical basis for better utilizing different solid wastes to prepare foam ceramics.

Control of complex lithofacies on the shale oil potential in saline lacustrine basins of the Jimsar Sag, NW China: Coupling mechanisms and conceptual models

The heterogeneity of lithofacies is a pivotal factor influencing the shale oil potential. A comprehensive understanding of the intricate influence of rock complexity on hydrocarbon generation properties, microscopic pore-throat structure, and fluid occurrences is crucial for shale oil exploration and development. The Lucaogou Formation in the Jimsar Sag is a type of saline lacustrine shale oil, which was chosen as a research example in this paper. To unravel the causal linkage and confirm the coupling relationship between lithofacies, pores, and fluid mobility in the sedimentary sequence of saline lacustrine basins, a series of experiments were conducted. These included total organic carbon (TOC), X-ray diffraction (XRD), vitrinite reflectance (Ro), Rock-Eval pyrolysis, field emission-scanning electron microscopy (FE-SEM), low-field nuclear magnetic resonance (LF-NMR), mercury intrusion porosimetry (MIP), and low-temperature nitrogen adsorption (LTN2A). The results revealed significant differences in pores, oiliness, and fluid mobility among the four dominant lithofacies. Employing an innovative comprehensive evaluation method, high-carbon silty dolomite manifests significant potential for hydrocarbon generation, substantial storage capacity, effective oiliness and mobility, heightened brittle mineral content, and facile fracture production. Consequently, it was the most favorable lithofacies. Furthermore, TOC, pore size, and pore types emerged as key factors influencing the movable oil content of different lithofacies. More importantly, a detailed multiscale model illustrated potential linkages across the three different scales of lithofacies associations, pores, and fluid mobility. The study’s outcomes can offer enhanced guidance for accurately assessing shale oil resources, particularly in the identification of crucial “sweet spots”.

Microscopic characteristics of tight sandstone reservoirs and their effects on the imbibition efficiency of fracturing fluids: A case study of the Linxing area, Ordos Basin

The Linxing area within the Ordos Basin exhibits pronounced reservoir heterogeneity and intricate micro-pore structures, rendering it susceptible to water-blocking damage during imbibition extraction. This study delved into the traits of tight sandstone reservoirs in the 8th member of the Shihezi Formation (also referred to as the He 8 Member) in the study area, as well as their effects on fracturing fluid imbibition. Utilizing experimental techniques such as nuclear magnetic resonance (NMR), high-pressure mercury intrusion (HPMI), and gas adsorption, this study elucidated the reservoir characteristics and examined the factors affecting the imbibition through imbibition experiments. The findings reveal that: ① The reservoir, with average porosity of 8.40% and average permeability of 0.642 × 10−3 μm2, consists principally of quartz, feldspar, and lithic fragments, with feldspathic litharenite serving as the primary rock type and illite as the chief clay mineral; ② Nano-scale micro-pores and throats dominate the reservoir, with dissolution pores and intercrystalline pores serving as predominant pore types, exhibiting relatively high pore connectivity; ③ Imbibition efficiency is influenced by petrophysical properties, clay mineral content, and microscopic pore structure. Due to the heterogeneity of the tight sandstone reservoir, microscopic factors have a more significant impact on the imbibition efficiency of fracturing fluids; ④ A comparative analysis shows that average pore size correlates most strongly with imbibition efficiency, followed by petrophysical properties and clay mineral content. In contrast, the pore type has minimal impact. Micropores are vital in the imbibition process, while meso-pores and macro-pores offer primary spaces for imbibition. This study offers theoretical insights and guidance for enhancing the post-fracturing production of tight sandstone reservoirs by examining the effects of these factors on the imbibition efficiency of fracturing fluids in tight sandstones.

Reservoir Characterization of Alluvial Glutenite in the Guantao Formation, Bohai Bay Basin, East China

Alluvial glutenite reservoirs have obviously stronger heterogeneous and more complex control factors than sandstone reservoirs. Taking the Binxian Uplift area in the Boahi Bay Basin as an example, the aim of this study is to clarify the characteristics and control factors of the alluvial glutenite reservoir quality and the influence of reservoir properties on hydrocarbon accumulation. Pore types in the study area mainly include residual intergranular pores, intergranular dissolved pores, intragranular dissolved pores, and mold pores. The residual intergranular pores and intergranular dissolved pores are the main pore types. Most samples have porosity greater than 15% and permeability is mainly concentrated between 50 mD and 500 mD. It is shown that lithology type, microfacies, and diagenesis have significant impact on the reservoir quality. The reservoir qualities of very fine sandstone and fine sandstone are better than those of conglomerate and gravel-bearing sandstone. Instead of grain size, sorting affects the alluvial glutenite reservoir quality significantly. Oil-bearing samples commonly have sorting coefficient less than 2 while non-oil-bearing samples have sorting coefficient larger than 2. There are significant differences in reservoir physical properties of different sedimentary microfacies. The stream flow in mid-alluvial fan (SFMA) and braided channels outside alluvial fans (BCOA) have relatively weaker compaction and better reservoir quality than the overflow sand body (OFSB) and debris-flow in proximal alluvial fan (DFPA). Calcite cementation, the main cement in the study area, commonly developed at the base of SFMA and BCOA and near the sandstone-mudrock contacts. The source of calcium carbonate for calcite cement mainly came from around mudstone. High calcite cement content commonly results in low porosity and permeability. Individual glutenite thickness is also an important influencing factor on reservoir quality. Reservoirs with large thickness (>4 m) have high porosity and permeability. Dissolution occurred in the reservoir, forming secondary dissolution pores and improving reservoir quality. The dissolution fluid for formation of secondary pores is mainly meteoric waters instead of organic acid. The reservoir property has an important influence on hydrocarbon accumulation. The lower limit of physical properties of an effective reservoir is a porosity of 27% and permeability of 225 mD. The findings of this study can be utilized to predict the reservoir quality of alluvial glutenite reservoirs effectively in the Bohai Bay Basin and other similar basins.

The Classification and Evaluation of an Interlayer Shale Oil Reservoir Based on the Fractal Characteristics of Pore Systems: A Case Study in the HSN Area, China

The evaluation of shale reservoir quality is of great significance for the exploration and development of shale oil. To more effectively study the distribution characteristics of shale reservoir quality, thin-section observation, scanning electron microscopy and pressure-controlled porosimetry were used to obtain the pore structure characteristics of shale in Chang 7, including pore types, pore size distribution, etc. In addition, the fractal dimensions of the shale samples were calculated based on pressure-controlled porosimetry data. The results show that residual interparticle pores, dissolution pores and clay-dominated pores were the main pore types. The overall pore size was mainly distributed between 3 nm and 50 μm. The pore system was divided into four types using fractal features, and the shale reservoir was divided into four types based on the proportion of different types of pore system. In different types of reservoirs, the production capacity of exploration wells varies significantly, as does the production capacity of horizontal wells. The classification of shale reservoirs using mercury intrusion fractal analysis proved to be suited for the efficient development of Chang 7 shale oil reservoirs.

Deep learning-based pore network generation: Numerical insights into pore geometry effects on microstructural fluid flow behaviors of unconventional resources

Pore-scale transport behaviors and mechanisms of rock reservoirs are still not well understood to increase unconventional resource production. This work mainly focuses on proposing a deep learning-based method to rapidly construct optimal pore network with different pore types, and deeply analyze its effects on pore-scale transport behaviors and mechanisms. The pore-scale variables reservoir evaluation indexes are defined to quantitatively evaluate pore geometry effects on the properties and production of rock reservoirs. The two-phase displacement simulations in pore network are conducted to study microstructural flow behaviors and transport mechanisms. Results suggest that the deep learning-based digital labeling algorithm (DL-DLA) has excellent abilities to rapidly construct pore network with errors less than 5%, compared with the classical algorithms. Square pores and circle throats are suggested as the optimal pore network assembly, considering the fluid phase drainage efficiency and production rate. The microstructural transport mechanisms are concluded as the pore-throat drainage, pore-filling, fluid phase mixing and fluid phase equilibrium processes. The novel theoretical relation between fluid phase drainage and microscopic production indexes provides effective tools to estimate rock reservoir production with errors all less than 10%, which are helpful for the technique developments to increase the production of unconventional resources in rock reservoirs.

Study on the evolution of concrete pore structure and moisture transfer mechanism after high temperature based on different sequence NMR technology

This study investigates the influence of elevated temperatures on concrete's pore structure and moisture transfer mechanisms. Concrete samples exposed to temperatures of 200℃, 400℃, 600℃, and 800℃ were subjected to capillary water absorption (CWA) tests, and their properties were analyzed using Scanning Electron Microscopy (SEM) and Nuclear Magnetic Resonance (NMR) techniques employing different sequences (CPMG and SE-SPI). The results reveal after high temperature four distinct categories of pores within the concrete: micropores, mesopores, capillary pores, and macropores. Mesopores are in the highest abundance, followed by capillary pores, macropores, and micropores. As temperature increases, hydration reactions lead to an upsurge in micropores and a decline in the proportion of other pores. With further temperature escalation, the cement slurry's volume alteration causes pore expansion, resulting in a rise in capillary pores and macropores and a decrease in micropores. Furthermore, NMR technology, employing CPMG sequences, identifies three stages in the concrete's CWA process: rapid moisture transfer, moisture transfer rate descent, and moisture transition stage. SE-SPI sequence-based NMR results show that, following high-temperature exposure, moisture transfer within concrete progresses as follows: initially, water rapidly permeates mesopores and capillary pores from the exterior. As CWA time increases, these pores tend to saturate, and water gradually infiltrates micropores and macropores. High temperatures significantly impact the CWA process, enlarging pore sizes and altering the type of pore filling during capillary water absorption in concrete.

Reservoir characteristics of the middle Eocene Avanah Formation in Erbil governorate, northern Iraq: Integration of outcrop and subsurface data

The current work investigate the petrophysical characteristics of the Middle Eocene Avanah Formation in the Erbil Governorate using IP software to analyze the well data, integrated with the 
 petrographic investigation of the formation in the nearest outcrop in the Gomaspan section. Well logging data revealed that the main lithology of the formation is limestone and dolostone while the lithology in the Gomaspan section is composed of limestone, dolomitic limestone, marly dolomitic limestone, and thin beds of shale. The lower dolomitic unit in the subsurface section of the formation is believed to be the most suitable reservoir unit due to good petrophysical characteristics including, low water saturation, high porous medium, and the presence of movable hydrocarbon. To measure porosities, a variety of well logging techniques were used in this study. The investigated formation was divided into Avanah dense (limestone unit) and Avanah porous (dolostone unit) based on their porous components. The petrographic study shows that most pore types of the formation are secondary and represented mainly by vuggy, moldic, intercrystalline, and fracture types. Most of the fractures in the upper limestone units are filled by calcite cement. The study claimed that the lower part of the formation (dolostone unit) in both sections is considered a good reservoir.

The pore-structure characteristics of foraminiferal shells and their relations with natural gas hydrate formation in the marine sediments

Many marine hydrate reservoirs exhibit significant foraminifera abundance. These foraminifera alter the original properties of the sediments, potentially affecting the formation and accumulation of hydrates. This present study analyzed the pore-structure characteristics of foraminifera-containing sediments from the South China Sea and their influences on the hydrate formation process by using microscopic imaging techniques. Scanning electron microscopy (SEM) and X-ray computed tomography (X-CT) reveal the unique dual-porosity characteristics of these sediments, characterized by matrix pores and foraminiferal pores. These two types of pores diverge significantly in their size distribution, morphological attributes, connectivity, and other aspects. Further experiments show the formation and occurrences of tetrahydrofuran (THF) hydrate under different sedimentary conditions and solution concentrations. Foraminiferal shells are found to promote the formation of hydrate by increasing the volume fraction of hydrate-favoring pores, which is more pronounced under conditions of low hydrate saturation. These findings obtained may contribute to global hydrate resource assessments and enhance understanding of hydrate reservoirs.

A Multiscale Approach for Assessing Shale Oil Availability: Digital Core, Molecular Simulation, and Machine Learning Analysis

Summary This study presents a novel multiscale approach for assessing the accessibility of shale oil in cores by use of focused ion beam-scanning electron microscopy (FIB-SEM) equipment to build digital core, watershed, and maximum ball methods to extract pore size and shape factor. Then, molecular simulation is used to study the availability of shale oil in individual pores with different shapes and radii. Finally, combining the results of the above two scales, machine learning is used to predict shale oil availability across the entire core. On the core scale, the watershed and maximum ball methods are used to extract the core pore network model, and it is found that square pores occupy the highest proportion among the three pore types, and most of the radii are distributed in the range of 2–3 nm. The molecular-scale dynamic simulation results show that the adsorption forms of shale oil are different in different pores, and the adsorption of shale oil in circular pores is less than that in flat pores. The proportion of shale oil adsorption in square pores is the highest, followed by triangular pores, and the proportion of shale oil adsorption in circular pores is the lowest. The random forest machine learning algorithm is used to predict the availability of shale oil with different pore shapes and obtain the shale oil availability ratio of the whole core. The results show that the pores with a more obvious angular structure show a lower shale oil availability ratio. In general, the impact of pore shapes on shale oil availability is not significant, and the difference between different pore shapes is only 10%. The multiscale evaluation method for shale oil availability proposed in this study is helpful to better understand the availability of shale oil in reservoirs and to optimize recovery strategies.

The removal mechanisms of HF and HCl gases using Mg-Al adsorbent prepared by sol-gel synthesis method

In this study, a series of Mg-Al mixed oxide adsorbents have been introduced to simultaneously remove hydrogen chloride (HCl) and hydrofluoric acid (HF) in low-temperature environment (100 °C). These adsorbents prepared by the sol-gel method, the effects of Mg loading amount and calcination temperature for adsorbents on their performance were investigated. The optimal adsorbent (modified by 20 wt% Mg and calcined at 500 °C, referred to as Mg20Al80OX-500) exhibited the highest adsorption capacity among all the adsorbents tested. The role of MgO loaded on Mg-Al mixed oxide adsorbent was investigated using various analytical methods, including Brunauer-Emmet-Teller (BET), X-ray diffractometer (XRD), scanning electron microscopy (SEM-EDS), thermogravimetric analysis (TG-DTG), temperature programmed desorption of CO2 (CO2-TPD), X-ray photoelectron spectroscopy (XPS)， in-situ infrared (in-situ IR) and transmission electron microscopy (TEM). These results indicated that MgO and lattice oxygen (Oα) played a crucial role in promoting the adsorption activity of the adsorbents. Mg were highly dispersed, and moderate levels of Mg content and calcination temperature could enhance the performance of adsorbents according to XRD, SEM-EDS and TG-DTG results. BET analysis showed that the modification of Mg did not change the pore type of the γ-Al2O3 largely. CO2-TPD results revealed that the calcination temperature significantly affected the number and strength of the basic sites on the surface of the adsorbent. In addition, XPS, in-situ IR and TEM analysis demonstrated that the consumption of MgO and Oα as well as the accumulation of reaction products on the surface and within the pores of the adsorbent, and they were the main reasons the deactivation. And MgF2 (MgCl2) and H2O were the main products after the inactivation of adsorbent.

2D Conjugated Metal-Organic Frameworks: Defined Synthesis and Tailor-Made Functions.

Conspectus2D conjugated metal-organic frameworks (2D -MOFs) have emerged as a class of graphene-like materials with fully π-conjugated aromatic structures. Their unique structural characteristics provide abundant physiochemical features, including regular nanochannels, high electrical conductivity, and customizable band gaps. Recent intensive research has significantly advanced this field, yet the exploration of 2D c-MOFs with enhanced features is limited by the availability of organic linkages and topologies. Designing novel ligands is essential for the construction of new 2D c-MOFs with high crystallinity, excellent conductivity, and tailor-made functions.In this Account, we summarize our recent contributions in fine-tuning the topology of 2D c-MOFs through precise ligand design, thereby giving them fantastic structures and tailor-made functions. First, we propose the concept of replacing planar ligands by nonplanar ligands on conductive MOF skeletons. The incorporation of nonplanar ligands improves the solubility of large π-conjugated organic molecules without interfering with the interlayer π-stacking. Our investigation discovered that conjugate polycyclic aromatics-based ligands can be synthesized through in situ Scholl reactions by means of oxidative cyclodehydrogenation of a nonplanar precursor ligand during the solvothermal synthesis process. Hence, fully conjugated 2D c-MOFs can be directly synthesized from nonplanar organic ligands, simplifying and diversifying the preparation of 2D c-MOFs. Accordingly, the design flexibility of the ligands expands the topological structures and pore types. By controlling the synthesis conditions, we can successfully induce either a rhombus or a kagome topology from a nonplanar D2 symmetric ligand. Moreover, by employing a ligand engineering strategy, we incrementally increase the number of coordination functional groups on a twisted hexabenzocoronene core, resulting in the formation of three distinct symmetric hydroxyl ligands. These ligands elicit diverse target topologies and pore sizes, resulting in variances in the coordination node density on the skeletons. This, in turn, leads to differences in electron transfer abilities, ultimately causing variations in the electrical conductivity and mobility. In addition, we employ a straightforward coupling method to incorporate redox components, such as salphen and pyrazine, into nonplanar ligands, facilitating the synthesis of 2D c-MOFs with highly active centers. This strategy confers upon the resulting frameworks substantial capacity for catalysis and energy storage, offering a good platform for elucidating the structure-property relationships at the molecular level. Moreover, the well-defined synthesis of 2D c-MOFs imparts them with specific properties, particularly in the fields of electrical, electrochemical, and spintronic applications. At the end, the primary challenges facing 2D c-MOFs in achieving tailor functions and their practical applications are proposed. This account is expected to evoke new inspirations and innovative research in the field of 2D c-MOFs, especially in emerging interdisciplinary research areas.