Pore Connectivity Research Articles

A network model to predict ionic transport in porous materials

Understanding the dynamics of electric-double-layer (EDL) charging in porous media is essential for advancements in next-generation energy storage devices. Due to the high computational demands of direct numerical simulations and a lack of interfacial boundary conditions for reduced-order models, the current understanding of EDL charging is limited to simple geometries. Here, we present a network model to predict EDL charging in arbitrary networks of long pores in the Debye-Hückel limit without restrictions on EDL thickness and pore radii. We demonstrate that electrolyte transport is described by Kirchhoff's laws in terms of the electrochemical potential of charge (the valence-weighted average of the ion electrochemical potentials) instead of the electric potential. By employing the equivalent circuit representation suggested by these modified Kirchhoff's laws, our methodology accurately captures the spatial and temporal dependencies of charge density and electric potential, matching results obtained from computationally intensive direct numerical simulations. Our network model provides results up to six orders of magnitude faster, enabling the efficient simulation of a triangular lattice of five thousand pores in 6 min. We employ the framework to study the impact of pore connectivity and polydispersity on electrode charging dynamics for pore networks and discuss how these factors affect the time scale, energy density, and power density of capacitive charging. The scalability and versatility of our methodology make it a rational tool for designing 3D-printed electrodes and for interpreting geometric effects on electrode impedance spectroscopy measurements.

Distinct biophysical and chemical mechanisms governing sucrose mineralization and soil organic carbon priming in biochar amended soils: evidence from 10 years of field studies

While many studies have examined the role of biochar in carbon (C) accrual in short-term scale, few have explored the decadal scale influences of biochar on non-biochar C, e.g., native soil organic C (SOC) and added substrate. To address this knowledge gap, soils were collected from decade-old biochar field trials located in the United Kingdom (Cambisol) and China (Fluvisol), with each site having had three application rates (25–30, 50–60 and 75–100 Mg ha−1) of biochar plus an unamended Control, applied once in 2009. We assessed physicochemical and microbial properties associated with sucrose (representing the rhizodeposits) mineralization and the priming effect (PE) on native SOC. Here, we showed both soils amended with biochar at the middle application rate (50 Mg ha−1 biochar in Cambisol and 60 Mg ha−1 biochar in Fluvisol) resulted in greater substrate mineralization. The enhanced accessibility and availability of sucrose to microorganisms, particularly fast-growing bacterial genera like Arenimonas, Spingomonas, and Paenibacillus (r-strategists belonging to the Proteobacteria and Firmicutes phyla, respectively), can be attributed to the improved physicochemical properties of the soil, including pH, porosity, and pore connectivity, as revealed by synchrotron-based micro-CT. Random forest analysis also confirmed the contribution of the microbial diversity and physical properties such as porosity on sucrose mineralization. Biochar at the middle application rate, however, resulted in the lowest PE (0.3 and 0.4 mg of CO2-C g soil−1 in Cambisol and Fluvisol, respectively) after 53 days of incubation. This result might be associated with the fact that the biochar promoted large aggregates formation, which enclosed native SOC in soil macro-aggregates (2–0.25 mm). Our study revealed a diverging pattern between substrate mineralization and SOC priming linked to the biochar application rate. This suggests distinct mechanisms, biophysical and physicochemical, driving the mineralization of non-biochar carbon in a field where biochar was applied a decade before.

Solid waste-based low-carbon autoclaved aerated concrete: Relationship between engineering properties and microstructure

A novel low-carbon autoclaved aerated concrete (AAC) was developed to enhance the high valuable use of solid waste in production, incorporating furnace slag, metro shield sand, and quartz tailings sand as 100 % siliceous raw materials, constituting 60 % of the total weight. In this study, comprehensive analyses were conducted on its engineering properties, including density, compressive, flexural, and splitting tensile strengths, and thermal conductivity. Advanced techniques such as X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), and high-resolution Industrial CT scanner (X-CT) were employed to examine AAC's material composition, hydration products, and pore structure characteristics at the microscale. The results indicated that the addition of 10 % furnace slag resulted in a specific increase of 5.5 % in compressive strength. However, escalating the furnace slag content to 30 % proved detrimental to the toughness and dry shrinkage of AAC. The microstructure analysis indicates that the use of furnace slag can improve the connectivity and roundness of pores and reduce the probability of large pores (>0.01 mm3), which will reduce the risk of damage localization. Furthermore, furnace slag in AAC enhanced sustainability and cost-effectiveness compared to metro shield sand and quartz tailings sand. Based on the TOPSIS model, an optimal AAC mixture, considering engineering performance, economy, and sustainability, was derived by blending the three types of solid wastes.

Understanding water adsorption in hierarchical carbon — The significance of pore connectivity and functional group configurations

Hierarchical carbon has drawn considerable attention due to its high capacity and fast kinetics in gas separation and purification in the fuel industry. The presence of water in most applications poses a challenge; hence, understanding how water interferes with the removal of undesired substances in the micro-mesoporous structure of the hierarchical carbon is required to assess and manage its impacts. Monte Carlo simulation was conducted in this paper to investigate water adsorption in a serially connected micro and mesopore model that mimics the hierarchical carbon. Our results reveal the critical role of pore connectivity, the topology of the junction between micropore and mesopore, and functional groups. Notably, the junction facilitates the formation of water clusters having a convex interface at the junction, followed by their coalescence with the localized clusters in the mesopore to form a liquid-like condensate with the concave interface. It is this transition from clusters with a convex interface to condensate with the concave interface that is the prerequisite for mesopore filling. Temperature has an opposing effect in the filling of micropores and mesopores; for the former, the onset of filling occurs at higher reduced pressure as the temperature is increased, while the opposite is true for mesopores. Our simulation results provide significant insights into the mechanism of water adsorption, which paves the path for utilizing hierarchical carbon in removing harmful substances from water-laden feed streams.

Characterization of the evolution of thermal maturity and pore structure of continental organic-rich shales

To clarify the evolution of thermal maturity and pore structure in continental organic-rich shales, calcareous shales of the Liaohe Basin (China) were pyrolyzed, and examined using Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), nitrogen sorption isotherms, and nuclear magnetic resonance (NMR) spectroscopy. The increase in Raman G‒D band separation and decrease in Raman ID/IG ratio with increasing thermal maturity indicate that these parameters provide superior thermal maturity indicators. This is also confirmed by the good linear correlation of G‒D band shifts and ID/IG with vitrinite reflectance (VR) and maximum temperature (Tmax), respectively. The relative detection accuracy (DA), sampling requirements (SR), sample preparation (SP), detection time (DT), and equipment requirement (ER) of VR, G‒D band shifts, ID/IG, Tmax, FTIR, and XPS indicate that Raman analysis is a simple, quick, and robust method to evaluate thermal maturity. The moderate SR, complex SP, and long DT suggest that VR and Tmax are less widely applicable for characterizing thermal maturity. The FTIR and XPS techniques provide semi-quantitative maturity indicators with poor DA and high ER. Pores observed within organic matter and minerals under SEM indicate that an increase in thermal maturity not only affects the development of organic pores but is also beneficial for the formation of mineral dissolution pores, such as those formed during the transformation of Na0.95Ca0.16Al1.16Si2.84O8 to Na0.84Ca0.02Al1.02Si2.98O8, a process confirmed by XRD. The BET and NMR data also indicate that the development of pore structure is closely related to the evolution of thermal maturity in calcareous shale. During the initial stage, primary pores are filled by bitumen generated from kerogen; this leads to a decrease in transition pores, mesopores, and shale porosity, and reduced pore connectivity. Then, secondary nanoscale pores, transition pores, and mesopores increase with increasing thermal maturity. The peak in secondary porosity is consistent with the liquid hydrocarbon production rate peak, a process that increases shale porosity and leads to improved pore connectivity. The dissolution of minerals induced by organic acids may also contribute to this secondary porosity. With a further increase in thermal maturity, secondary porosity at the microscale is further developed, while transition pores and mesopores collapse, resulting in reduced pore connectivity. The poor pore connectivity that occurs at both low and high VR values may be more conducive to the preservation of shale oil and gas. This study is significant for research into the evolution of thermal maturity and pore structure in continental organic-rich shales.

A study on the distribution and movement of water in unsaturated cement paste by a multi-component multi-phase lattice Boltzmann simulation

The distribution of water inside concrete is a crucial factor that determines its mechanical performance and durability. In contrast to experimental investigation, numerical models provide a new way to visualize and characterize the actual situation of water in unsaturated cementitious materials. However, the interactions between different components are quite complex and they are rarely considered so far. In this work, a multi-component multi-phase (MCMP) lattice Boltzmann model is developed to distribute moisture in partially saturated cement paste, in which the interactions between water and air are fully taken into account. The transport of water flow in unsaturated cement paste is modelled and the permeability is thus computed. The simulation results show a satisfactory agreement with experimental data, validating the proposed approach. The obtained permeability is found to decline at a decreased water saturation degree and this is attributed to a reduced number of transport paths for water flow. Moreover, as the contact angle increases from 80° to 100°, large pores become the preferred place for water to accumulate and the formed clusters are observed. According to the results, a strong correlation between pore structure (i.e., pore size and pore connectivity) and water permeability is found and discussed.

Influence of IDS and SDS compound ratio on pore structure and wettability of bituminous coal and anthracite: Experimental and simulation discussion

The pore and wetting characteristics of bituminous coal and anthracite treated with different proportions of tetrasodium iminodisuccinate (IDS) and sodium dodecyl sulfate (SDS) were measured. The pore structure characteristics of the coal were studied via low-temperature nitrogen adsorption analysis and the Frenkel-Halsey-Hill fractal theory. Zeta potential measurements were conducted to quantitatively analyze the degree of aggregation or dispersion of coal particles dissolved in solution. Changes in the coal surface morphology were observed and analyzed by scanning electron microscopy (SEM). The results show that when the ratio of IDS:SDS is 1:3, the specific surface area (SSA) values of bituminous coal and anthracite are the lowest. The composite reagent has a greater effect on improving the pore structure of anthracite than bituminous coal. Compared with bituminous coal, anthracite has better pore connectivity and a wider pore network. The absolute zeta potentials of bituminous coal and anthracite reach the maximum at an IDS:SDS ratio of 1:3, with values of 91.08 mV and 91.35 mV, respectively. The electrostatic potential distributions of the molecules show that the advantages of the electrostatic potential difference with water molecules enable IDS and SDS molecules to effectively attract water molecules and form hydrogen bonds, thus revealing the optimization mechanism of coal wettability.

Size-dependent effect on the interaction of surface waves in micropolar thermoelastic medium with dual pore connectivity

This research tackles a critical knowledge gap in Rayleigh surface wave propagation. It offers a comprehensive analysis that surpasses previous limitations. A size-dependent micropolar medium with unique void distributions and thermal effects is considered in this work. The constitutive relations and equations of motion for a nonlocal micropolar thermoelastic medium with double voids (MTMWDV) have been established by using Eringen’s nonlocal elasticity theory. Employing the three-phase-lag thermoelasticity theory (TPLTE), the study utilizes a wave-mode method to derive analytical solutions for Rayleigh waves in a nonlocal MTMWDV. To gain a comprehensive understanding of wave behavior, we solve the characteristic equation and analyze its roots, applying a filter based on the surface wave decay condition. A medium with stress-free and isothermal boundaries is explored through computational simulations to determine the attenuation coefficient and phase velocity. Furthermore, particle motion analysis is conducted to complement the analytical and computational approaches. Moreover, the influence of the nonlocal parameter and various thermoelastic models on these wave phenomena is investigated. The validity of the current mathematical model is confirmed through the derivation of particular scenarios.

Pore Structures and Evolution Model of Reservoirs in Different Secondary Structural Zones in the Eocene Shahejie Formation, Chezhen Sag, Bohai Bay Basin.

Although abundant unconventional oil resources have been discovered in conglomerate and sandstone reservoirs in rift basins, the mechanism of differential pore evolution in conglomerates and sandstone reservoirs within different secondary structural zones of rift basins is not yet clear. The pore structures of conglomerate and sandstone reservoirs in the distinct secondary structural zones in the Chezhen Sag were quantified in three dimensions using high-resolution microcomputed tomography (micro-CT). Thin section and scanning electron microscopy observations were used to investigate the differential evolution mechanisms of conglomerate and sandstone reservoirs. Micro-CT analysis of the pore structures of conglomerate and sandstone reservoirs revealed that sandstone reservoirs are superior to conglomerate reservoirs with regard to the pore number and pore connectivity and that sandstone reservoirs are more heterogeneous than conglomerate reservoirs. Triangles dominate the pore and pore throat geometries of sandstone and conglomerate reservoirs, while the sandstone reservoir pores are more regular than conglomerate reservoir pores. The depositional environment, mineral composition, and diagenetic intensity jointly control the quality of the reservoirs. Because of the lengthy transportation distance of their parent rocks, the compositional maturity and sorting behavior of sandstone reservoirs in depression and gentle slope zones are better than those of conglomerate reservoirs in steep slope zones, and thus sandstone reservoirs have a higher initial porosity than conglomerate reservoirs. The rapid compaction experienced by the conglomerate reservoirs in steep slope zones in their early stages creates a closed diagenetic environment, making it difficult to effectively improve reservoir porosity through dissolution. However, the widely developed microfractures in the reservoirs provide channels for fluid migration, promote the development of dissolution pores, and form a tight reservoir dominated by secondary pores. With weak compaction and an open diagenetic environment, the primary pores in sandstone reservoirs in the gentle slope zone are preserved in large quantities. Meanwhile, dissolution expands the secondary pores of the reservoir, resulting in a high-quality reservoir having both primary and secondary pores. In addition, an approach based on primary, secondary, and total porosity was proposed in the study to efficiently evaluate reservoir quality and identify reservoir evolution mechanisms.

Acoustofluidics enables direct ink writing of vascular scaffolds with intrinsically patterned porous microstructures

Vascular scaffolds with well-organized pore characteristics are crucial for promoting infiltration, adhesion, growth, tissue-specific arrangement, and substance-exchanges of biological cells. However, their controllable fabrication is extremely challenging, especially for those with specially designed three-dimensional (3D) tubular and porous microstructures. In this paper, a new methodology based on acoustofluidics-assisted direct ink writing (DIW) technique is developed to fabricate vascular scaffolds with controlled porosity distributions and well-defined porous microstructures. Calcium carbonate (CaCO3) particles and alginate are uniformly mixed as the printing ink, which is printed along a rotating rod to form a vessel-like structure. Distributions of these CaCO3 particles in the printed structure are precisely controlled using bulk acoustic waves. The particles within the vessel-like structure are dissolved in situ using hydrochloric acid, resulting in the formation of 3D vascular scaffolds with intrinsically patterned porous microstructures. The scaffolds printed by the acoustofluidics-assisted DIW method exhibit a 69% improvement in pore connectivity compared to conventional 3D-printed scaffolds. Fibroblast cells are successfully seeded onto these scaffolds, achieving distinctive distributions along the patterned porous microstructures. This innovative methodology, with its excellent microfabrication capabilities, holds great promise for applications in tissue engineering, drug release, composite formation, microfluidic chips, and biosensors.

Pore morphology changes and quantitative analysis and evaluation of high‐rank coal samples after impact

AbstractThe influencing mechanism of impact loads on the pore morphology of high‐rank coal has been extensively investigated since mining safety is greatly determined by the ensuing state of gas occurrence. In this work, we propose a combined use of a scanning electron microscope and Image Pro Plus software to examine the impact‐induced changes in pore characteristics. Impact loads of 0, 28.46, 51.8, and 58.7 MPa were applied to the coal samples in various directions (parallel/vertical/45° oblique). The results show that the pore connectivity of coal samples is enhanced following the impact load, and the number and diameter of pores are significantly increased on the whole. Surface porosity and roundness of the coal body first rise and then fall as the impact load increases. Following the impact load, surface porosity and roundness of the coal body significantly increase in the vertical and oblique bedding directions, while decreasing in the horizontal bedding direction.

Pore Fractal Characteristics between Marine and Marine–Continental Transitional Black Shales: A Case Study of Niutitang Formation and Longtan Formation

Marine shales from the Niutitang Formation and marine–continental transitional shales from the Longtan Formation are two sets of extremely important hydrocarbon source rocks in South China. In order to quantitatively compare the pore complexity characteristics between marine and marine–continental transitional shales, the shale and kerogen of the Niutitang Formation and the Longtan Formation are taken as our research subjects. Based on organic petrology, geochemistry, and low-temperature gas adsorption analyses, the fractal dimension of their pores is calculated by the Frenkel–Halsey–Hill (FHH) and Sierpinski models, and the influences of total organic carbon (TOC), vitrinite reflectance (Ro), and mineral composition on the pore fractals of the shale and kerogen are discussed. Our results show the following: (1) Marine shale predominantly has wedge-shaped and slit pores, while marine–continental transitional shale has inkpot-shaped and slit pores. (2) Cylindrical pores are common in organic matter of both shale types, with marine shale having a greater gas storage space (CRV) from organic matter pores, while marine–continental transitional shale relies more on inorganic pores, especially interlayer clay mineral pores, for gas storage due to their large specific surface area and high adsorption capacity (CRA). (3) The fractal characteristics of marine and marine–continental transitional shale pores are influenced differently. In marine shale, TOC positively correlates with fractal dimensions, while in marine–continental shale, Ro and clay minerals have a stronger influence. Ro is the primary factor affecting organic matter pore complexity. (4) Our two pore fractal models show that the complexity of the shale in the Longtan Formation surpasses that of the shale in the Niutitang Formation, and type I kerogen has more complex organic matter pores than type III, aiding in evaluating pore connectivity and flow effectiveness in shale reservoirs.

Optimizing the pore structure and permeability of calcined clay limestone cement through shell powder

Limestone calcined clay cement (LC3) as a novel low-carbon cement shows potential as an OPC replacement due to its lower clinker content and excellent performance. Nevertheless, Low degree of hydration in early age resulted in high porosity impacting properties. In this study, shell powder was employed as a carbonate filler to optimize the pore structure of LC3. The results indicated that adding shell powder improved pore structure, consequently enhancing compressive strength from 35.8 MPa to 40.5 MPa at 28 day. The collaboration of shell powder with limestone led to the highest compressive strength 41.2 MPa and lowest porosity 18.4 % at 28 days. The matrix had good compatibility when limestone and shell powder are combined for LC3. With the increased content of shell powder, the volume fraction of gel pores gradually increased, and the harmful pores decreased, which promoted the transformation of pores into gel pores. Pore connectivity was reduced, resulting in a denser LC3 matrix. Therefore, shell powder was a material that can effectively improve the mechanical properties and pore structure of LC3.

A novel approach for sludge deep-dewatering via flowing-out enhancement but not relying on cell lysis and bound water release

Effective deep-dewatering is crucial for wastewater sludge management. Currently, the dominant methods focus on promoting cell lysis to release intracellular water, but these techniques often lead to secondary pollution and require stringent conditions, limiting their practical use. This study explores an innovative method using a commercially available complex quaternary ammonium salt surfactant, known as G-agent. This agent remarkably reduces the sludge water content from 98.6 % to 56.8 % with a low dosage (50 mg/g DS) and under neutral pH conditions. This approach surpasses Fenton oxidation in terms of dewatering efficiency and avoids the necessity for cell lysis and bound water release, thereby reducing the risk of secondary pollution in the filtrate, including heavy metals, nitrogen, phosphorus, and other contaminants. The G-agent plays a significant role in destabilizing flocs and enhancing flocculation during the conditioning and initial dewatering stages, effectively reducing the solid-liquid interfacial affinity of the sludge. In the compression filtration stage, the agent's solidification effect is crucial in forming a robust skeleton that improves pore connectivity within the filter cake, leading to increased water permeability, drainage performance and water flow-out efficiency. This facilitates deep dewatering of sludge without cell lysis. The study reveals that the G-agent primarily improves water flow-out efficiency rather than water flowability, indicating that cell lysis and bound water release are not indispensable prerequisites for sludge deep-dewatering. Furthermore, it presents an encouraging prospect for overcoming the limitations associated with conventional sludge deep-dewatering processes.

Investigation of pore structure evolution and damage characteristics of high temperature rocks subjected to liquid nitrogen cooling shock

Liquid nitrogen (LN2) can be utilized in the development of enhanced geothermal systems, as well as for deep/ultra-deep hydrocarbon reservoir stimulation, fire suppression, and other high-temperature geological projects. It is a crucial issue in the utilization of LN2 to investigate the pore structure evolution, permeability, and damage characteristics of high-temperature rocks under the influence of LN2 cooling shock. These rocks were first slowly heated to 150∼600°C and held for 2 h, followed by LN2 or natural cooling. The evolution of pore volume in high-temperature rocks affected by liquid nitrogen cooling was quantified. T2 cutoff values were determined through centrifugal tests, while the contents of irreducible and mobile fluids were estimated. Based on the aforementioned analysis as well as changes in irreducible fluid saturation, pore throat, tortuosity, and permeability, this study examines the closure and development of pores along with permeability behavior. The findings suggest that, despite a more pronounced decrease in porosity at lower heating temperatures, LN2 cooling specimens exhibit superior pore connectivity and permeability compared to those cooled naturally. LN2 stimulation not only induces crack initiation and propagation but also results in further cooling induced densification based on heating densification. 225°C is considered to be the optimal temperature for cooling contraction induced densification in this study. At higher heating temperatures, the damage to rock cooled with LN2 is more severe than that of naturally cooled. This results in a greater increase in porosity, movable fluid content and proportion, and permeability of LN2 cooled specimens compared to naturally cooled specimens. The damage mechanism can be better understood by the constructed damage model that coordinates the pore increase/decrease and mutual pore transformation from the perspective of pore evolution.

Geochemistry and Petrology of Reservoir and Cap Rocks in Zar-3 Pilot CO2 Storage Complex, SE Czechia

The planned pilot CO2 storage Zar-3 is an oil field with a gas cap in the final production stage in the SE Czech Republic. It is composed of a dolomite Jurassic reservoir sealed by three different formations that differ significantly in lithology. Previous studies left open questions on the nature of pore space and connectivity and the quality of the seal in the future CO2 storage complex. Microscopic petrography of the reservoir suggests dolomitisation in shallow water followed by karstification and brecciation with fracture-correct-dominated porosity. The seal horizons have porosity limited to the micro- and nanoscales. The oil consists of significantly biodegraded black oil of Jurassic origin mixed with less biodegraded gasoline-range hydrocarbons. Biomarkers in the caprock bitumens trapped in nanopores show a genetic relationship to the reservoir oil. Gas in the not yet fully depleted gas cap of the field is of thermogenic origin with no contribution of microbial methane. The formation water has total dissolved solids typical of isolated brines not diluted by infiltrated fresh water. The geochemical characteristics of the storage system together with the fact that the initial oil column is about 105 m tall with another 150 m of gas cap suggest that the seals are efficient and the Zar-3 future storage complex is tight and safe.

Effect of pore structure on the ionic thermoelectric effect of pure cement paste

Ionic thermoelectric effect based on thermal migration of ion in the pore solution is emerging as a new branch of research on the thermoelectric effect of cement-based materials. However, the dense and tortuous pore structure of the cementitious materials may limit the ionic electrical conductivity and reduce the ionic thermal migration in pore solutions. Therefore, improving the pore structure may be a promising direction to enhance the thermoelectric effect of pore solution in cementitious materials. In this study, the pure cement paste with three water-cement ratios (w/c ratio = 0.3, 0.4, 0.5) and two curing methods (sealed curing and wet curing) are used. The effects of the ion concentration of the pore solution on the electrical conductivity and the Seebeck coefficient are investigated by the treatment of the vacuum saturation and the leaching process of the cement pastes. In addition, the pore structure of the cement paste is measured by mercury intrusion porosimetry (MIP). The effect of pore structure on the ionic thermoelectric effect of the cement pastes is studied. The results show not only the porosity and pore connectivity, but also the higher specific surface area of cement matrix is an important parameter for improving the ionic Seebeck coefficient of cementitious materials. The finer pore distribution in the cement matrix will cause a larger thermoelectric voltage. By improving the pore structure, the power factor (PF) of cement paste has been improved by two orders of magnitude, from 0.0027 μWm−1K−2 to 0.178 μWm−1K−2. The findings of this study can guide further understanding of the ionic thermoelectric effect of cementitious materials and provide a method for enhancing the thermoelectric effect of high-efficiency ionic thermoelectric materials (such as polyelectrolytes and ionic liquid) in cement matrix, which can develop ultra-high performance ionic thermoelectric cement-based materials for zero energy buildings.

Atomic insight into the transport mechanism of CO2/N2 molecules passing through UiO-66/PDMS membranes

Mixed matrix membranes (MMM) prepared by adding MOF filler to polymeric membranes are expected to overcome the trade-off effect inherent in membranes and improved the efficiency of separation and CO2 capture. In this work, concentration-gradient-driven molecular dynamics (CGD-MD) was employed to explore gas permeability of pure CO2/N2 and their mixture in PDMS membrane, UiO-66 membrane and UiO-66/PDMS membrane, respectively. The transport mechanism of gas molecules in the membranes was illustrated from molecular level. Moreover, the simulated permeability and predict permeability were compared to investigate the effect of the porosity at the UiO-66/PDMS interface on gas transport in mixed matrix membrane. The competitive effect between CO2 and N2 molecules in mixture could explain their different permeability in different membranes. The pore sizes distribution map and pore connectivity diagrams within UiO-66/PDMS membrane shown that the relative larger pore size and interconnectivity voids are formed in the interfacial region, and the interfacial porosity formed in UiO-66/PDMS membrane shown a positive effect on pure N2 transport and almost no effect on pure CO2 permeability. While the selectivity of UiO-66/PDMS membrane for the mixed gas case is improved because CO2 increases the retention time of N2 in the membrane and decreases the N2 permeability. This work provides a worthwhile perspective on the design of high-performance membranes for separation.

Formation and evolution of shale overpressure in deep Wufeng-Longmaxi Formation in southern Sichuan basin and its influence on reservoir pore characteristics

In the deep Longmaxi Formation shale gas reservoirs of the southern Sichuan Basin, strong overpressure is universally developed to varying degrees. However, there is currently a lack of in-depth research on the formation mechanisms, evolutionary patterns, and the controlling effects on reservoir pore characteristics of strong overpressure. This limitation significantly restricts the evaluation of deep shale gas reservoirs. This study selected typical overpressured shale gas wells in Yongchuan, Luzhou, and Dazu areas as research subjects. Through comprehensive methods such as log analysis, fluid inclusion analysis, and numerical simulation, the dominant mechanisms of strong overpressure formation were determined, and the pressure evolution from early burial to late strong uplift was characterized. Additionally, the impact of varying degrees of overpressure on reservoir pore characteristics was studied using techniques such as scanning electron microscopy, gas adsorption-mercury intrusion, and helium porosity testing. The research findings indicate that hydrocarbon generation expansion is the primary mechanism for strong overpressure formation. The pressure evolution in the early burial phase is controlled by the processes of kerogen oil generation and residual oil cracking into gas. The reservoir experienced three stages: normal pressure (Ordovician to Early Triassic), overpressure (Early Triassic to Early Jurassic), and strong overpressure (Early Jurassic to Late Cretaceous), with pressure coefficients of approximately 1.08, 1.56, and 2.09, respectively. During the late strong uplift phase, the adjustment of early overpressure occurred due to temperature decrease and gas escape, leading to a decrease in formation pressure from 140.55 MPa to 81.63 MPa, while still maintaining a state of strong overpressure. Different degrees of strong overpressure exert a significant control on the physical properties of shale reservoirs and the composition of organic matter pores. Variations exist in the organic matter pore morphology, structure, and connectivity within the deep Wufeng-Longmaxi shale. Higher overpressure favors the preservation of organic large pores and reservoir porosity. Under conditions of strong overpressure development, deep siliceous shales and organically rich clay shales exhibit favorable reservoir properties. By determining the dominant mechanisms of strong overpressure in the Wufeng-Longmaxi Formation and studying pore characteristics, this research not only deepens the understanding of the geological features of deep shale gas reservoirs but also provides a new perspective for understanding the overpressure mechanisms and reservoir properties of deep shale gas reservoirs. Moreover, it is of significant importance for guiding the exploration and development of deep Longmaxi shale and provides valuable references for further research in related fields.

An analytical equation to predict mortar spalling at laboratory scale

Spalling is the main problem concerning safety in concrete structures under rapid heating. Despite being studied for nearly a century, its prediction remains a challenge. In addition, the main recommendations for its prevention are merely the addition of a fixed amount of polypropylene fibres, without accounting for mix design. This paper presents an experimental study focusing on the thermo-hygral mechanism contribution to spalling. The use of mercury intrusion porosimetry and X-ray microtomography for the determination of pore connectivity is considered a key parameter. The results of the experiment are used for the development and calibration of an analytical equation capable of predicting spalling in concrete samples. The equation is then validated using over 100 examples extracted from literature, achieving an accuracy of 91.2%. Based on the validation, the proposed equation is a step forward in the prediction of concrete spalling based on the mix design parameters.