The valorization of coal gangue is of great significance for achieving clean and efficient utilization of coal. To lower the sintering temperature of high-alumina coal gangue (HACG), red mud (RM) was used as a fluxing agent to prepare high-strength ceramsite. The sintering mechanism was revealed and the sintering parameters including the sample proportion, sample particle size, sintering temperature, and sintering residence time were optimized. The optimal parameters were: HACG-to-RM mass ratio: 50:50, sample particle size: 125 mu m, sintering temperature: 1150 degrees C, and sintering residence time: 20 min, yielding the ceramsite with compressive strength of 228 MPa, 1-hour water absorption of 3.19%, and an apparent density of 2.68 g/cm3. Sintering mechanism analysis revealed that the Na from the RM reacted with the Si and Al from HACG to generate low-melting-point mineral (sodium feldspar), which is attributed to formation of liquid phase during sintering. However, excessive RM leads to inordinate liquid phase and reduced refractory crystal framework (mullite), which is detrimental to the performance of ceramsites. Furthermore, a substantial portion of the carbon in coal gangue serves as a heat source for the sintering process through combustion under an oxidative atmosphere, while a small fraction of carbon reacts with iron oxide at high temperatures to generate gas for pore. A suitable particle size distribution facilitates the mass transfer of the liquid phase within the pores and enhances the degree of densification of ceramsite. Finally, the heavy metal leaching concentrations of optimal performance ceramsite complied with the standard limits. These results can provide theoretical guidance for the preparation of high-strength ceramsite based on coal gangue and red mud.

Calcium oxide (CaO) is widely used to tailor the thermochemical properties of coal gasification slags, yet existing models lack medium‑range structural parameters to elucidate how Ca2+ drives these property changes. This study integrates molecular simulations with experimental measurements to elucidate the dynamic structural evolution of both crystalline anorthite and the melt within the model CaO–SiO2–Al2O3 slag system. The results reveal that Ca2+ diffusion triggers a cascade of structural disordering of anorthite: Ca2+ diffusion first disrupts the medium-range cationic order, which in turn promotes the depolymerization of characteristic ring motifs (8-, 12-, and 16-membered rings) and restructures the network topology toward a more randomized state. This disordering is quantitatively captured by a newly defined ring-distribution entropy, which serves as a structural order parameter and reveals that Ca2+ effectively lowers the activation barrier for viscous flow. These findings establish a quantitative link between atomic-scale diffusion, topological evolution, and macroscopic rheology. This work provides a microstructure-based rationale for slag design and advances the theoretical framework for structure–property relationships in silicate melts.

The direct coal liquefaction process is accompanied by the dissolution of soluble fractions in coal, but the influence mechanism of these soluble fractions on the liquefaction process remains unclear. In this paper, the pyrolysis characteristics and direct liquefaction performance of raw coals (RCs), thermal extraction soluble fractions (TESs) and residues (TERs) were evaluated. As the enriched product of light components in coal, TESs exhibit significantly higher reactivity in pyrolysis and liquefaction compared to RCs and TERs. TESs undergo pyrolysis with weight loss primarily at 150-550 degrees C. For both TESs and TERs, THN-treated samples show increased pyrolysis activity than MN-treated samples. This can be attributed to the ability of THN to provide active hydrogen, which effectively stabilizes the free radicals generated during thermal extraction, inhibits their cross-linking and polycondensation. TESs demonstrate the highest conversion rates and oil yields among all samples. They maintain significant liquefaction activity even in hydrogen-deficient MN/N-2 conditions, achieving a conversion rate of 63.63-72.36 % and an oil yield of 39.57-41.20 %. The liquefied oil originates primarily from the cracking of TESs themselves, with little contribution from the coal macromolecular matrix. This proves that they combine the high reactivity of light components with the role of an in-situ hydrogen donor. THN is a superior hydrogen donor that it even overshadows the hydrogen-donating ability of TESs. TERs indicate clearly reduced liquefaction activity than RCs, with conversion rates and oil yields following the order RCs > TERs-THN > TERs-MN. Notably, the TERs-MN shows a marked growth in CO2 gas yield, resulting from decarboxylation decomposition of the newly formed C=O functional groups. The transformation of preasphaltene to asphaltene involves hydrogenation and deoxygenation, producing AS with a higher hydrogen and lower oxygen content.

Torrefaction of corn stover prior to co-gasification with coal not only improves fuel properties but also significantly alters the speciation of inorganic elements, affecting ash slagging and melting behavior. This study clarifies how torrefaction mitigates slagging risk through a comparative investigation of ash evolution in raw and torrefied corn stover-coal blends. In the raw corn stover-coal system, a critical slagging risk emerged at a 30 wt% biomass ratio due to the formation of metastable leucite. Torrefaction converted water-soluble alkali and alkaline earth metals (AAEMs) into more stable organic or residual forms, enhancing their retention during ash formation and redirecting high-temperature mineral evolution. This shift suppressed metastable leucite formation and promoted thermally stable silicates, thereby delaying initial melt formation. Importantly, torrefaction markedly narrowed the ash melting interval (Delta T): while Delta T for raw blends remained > 150 degrees C across all ratios, for torrefied blends it sharply decreased with increasing biomass proportion, reaching an optimal 44 degrees C at 50 wt% blending. This sharp melting transition eliminated the critical slagging point observed in raw blends and promoted homogeneous slag formation. Consequently, the deformation temperature (DT) of torrefied corn stover-coal ash increased by up to 140 degrees C compared to raw blends, effectively mitigating slagging risk at the previously critical 30 wt% ratio. This work provides a theoretical basis for designing corn stover-coal blends with favorable slagging characteristics via torrefaction pretreatment.

Modifying abundant low-rank coals (LRCs) to enhance their caking ability for coking blends can partially replace scarce coking and fat coals, thereby expanding coking coal resources and reducing blending costs. In this study, two LRCs, Hequ coal (HQ) and Hami coal (HM), were modified at 340–400 °C under catalyst-free conditions using a hydrogen-donor solvent. The solid modified coals were recovered by vacuum filtration. The effects of coal type, reaction temperature, initial nitrogen (N2) pressure, and solvent hydrogen supply capability value (HSCV) on caking ability were investigated. The caking enhancement mechanism was analyzed through structural and physicochemical characterization. HQ exhibited a greater improvement in caking ability than HM after modification, with the caking index (GRI) increasing from 0.1 to 84.8 at 380 °C. This is attributed to the shorter and more highly branched aliphatic structures in raw HQ coal, which favor the formation of flowable intermediates during pyrolysis and promote caking phase development. Temperature was a key factor, as the GRI first increased and then decreased between 340 and 400 °C, reaching a peak at 380 °C. Increasing HSCV from 0 to 1 led to an increase in active hydrogen concentration, thereby gradually improving the GRI. Structural analysis revealed that the modified coals exhibited reduced oxygen-containing functional groups, shortened and more branched aliphatic chains, enhanced aromatic CC structures, increased aromatic carbon content and degree of condensation, and decreased interlayer spacing. These structural evolutions collectively enhanced the caking ability.

Particle segregation phenomenon significantly affects the interaction of two feedstocks during coal and biomass co-gasification. The physical separation of the blended char of anthracite and corn stalk prepared under rapid pyrolysis conditions was performed based on the difference in raw material particle size. The physicochemical structures of chars were characterized by X–ray diffraction (XRD), Raman spectroscopy, and BET surface area analysis, while the gasification reactivity was determined using a thermogravimetric analyzer (TGA). Then, the internal relationship between structural parameters and gasification reactivity was explored by progressive grouping correlation method. Also, two calculation methods were used to quantify the synergistic effect. The reaction mechanism was further proposed and the gasification reaction kinetics was studied. The results demonstrated that graphitization degree followed a decreasing trend in the order of separated coal char, blended char, and separated stalk char. ID3/IG was regarded as a reliable indicator for predicting the reactivity of char gasification. The synergistic effect exhibited a dynamic transition from inhibition to promotion. The initial inhibition was attributed to pore blockage and active‑site occupation by polycyclic aromatic hydrocarbons (PAHs) generated from the polymerization of oxygen‑containing compounds. The consumption of carbon matrix and the catalytic gasification of both PAHs and char by active K convert the synergistic effect from inhibition to promotion. Kinetic analysis identified the Modified Volume Model as optimal for char gasification, with apparent activation energy decreasing markedly at higher blending ratios. This work provides insights into particle segregation and synergy in coal and biomass co‑gasification, which can guide process optimization.

In this paper,we investigated the effect of calcium-sodium composite flux on the ash fusibility of Pingshuo coal with high ash fusion temperatures.X-ray diffraction(XRD)and FactSage were used to analyze the mineral transformation behavior at high temperature.Combined with molecular dynamics simulations,the effect of calcium-sodium composite flux on the melting mechanism was revealed at the molecular level.The results showed that the silicon-aluminum ratio(Si/Al mass ratio)of Pingshuo coal ash with high ash fusion temperatures(AFTs)were approximately 1.0,with the total silicon-aluminum content(Si+Al,mass sum)about 90％.When the addition of calcium-sodium composite flux(CaO and Na2O)was 20％,the AFTs of coal ash with the addition of calcium-sodium composite flux were lower than that with the addition of CaO and Na2O,which demonstrates a synergistic effect of the calcium-sodium composite on the fusibility of Pingshuo coal ash.The FT of the two Pingshuo coal ash decreased to 1377 and 1279 ℃ when the calcium-sodium ratio of the composite flux was 3∶7.With the addition of calcium-sodium composite flux,quartz in coal ash reacted with Na2O and CaO to form low melting point minerals such as nepheline,melilite,gehlenite,inhibiting the formation of mullite.The formation of low eutectic minerals occurred among anorthite,albite,nepheline and other minerals.Besides,the ordered structural was disrupted by the high diffusivity of Na+,inducing the preferential coordination of Ca2+with[AlO4]5-tetrahedra.As a result,the Si-O-Si network of coal ash at high temperatures was further broken.The addition of calcium-sodium composite flux significantly enhanced atomic diffusion capabilities within coal ash at high temperatures.The values of mean square displacement(MSD)were higher than those with the additions of Na2O and CaO.

Replacement of cement by coal gasification slag (CGS) could not only realize the large-scale utilization of CGS but also significantly reduce carbon emissions from the cement industry. However, the low reactivity of CGS requires further energy consumption or chemical activation. The source activation, namely improving the CGS reactivity in the coal gasification process, was proposed in this study for the first time, featuring its advantages in both energy and chemical savings. Results revealed that the source activation consisted of a solid sintering stage (Stage I), initial liquid formation (Stage II), transition stage (Stage III), and residual mineral dissolution stage (Stage IV). The main activation event was occurred in Stage II and Stage IV, and a physical shrinkage ratio of 8.93 % (+/- 0.26 %) can serve as an indicator for the beginning of the initial activation event in stage II. The Ca-Fe flux with a low Ca/Fe ratio improved Stage II, whereas increasing the Ca/Fe ratio of the flux enhanced the activation of Stage IV. The inert minerals mullite and quartz were transformed to anorthite and hercynite with Ca-Fe flux addition, triggering the low-temperature eutectic formation. The liquid phase improved the hydration reaction, increasing the compressive strength of the cement mortar. To achieve the highest compressive strength, the optimal Ca/Fe ratios were 1:1 at 30 wt% additive and 4:1 at 40 wt% additive, respectively. Finally, the ash fusion temperatures, an industrial parameter of coal gasification, were correlated with activation parameters, providing guidance for the source activation process.

Electro-dehydration enables efficient demulsification of emulsions, laying a theoretical and technical foundation for addressing the deep dehydration challenge of produced fluids in nanofluid flooding. In this work, molecular dynamics (MD) simulations are conducted to investigate the coalescence dynamics of nanoparticle-laden droplet groups under the coupled rotating electric (RE) and rotating flow (RF) fields. The effects of RE field intensity, RF field frequency, coupling effect of RE and RF fields, and water content on droplet group coalescence are systematically analyzed. The results indicate that under the coupled RE-RF field, increasing RE field intensity exerts no significant enhancement on the migration velocity of droplets toward the wall when CaE ≤ 12.79. In addition, the CaE for the formation of strip-like structures (CaE = 18.41) under the coupled RE-RF field is considerably higher than that under a single RE field (CaE = 4.60). At low RF field frequencies (ωf⁎ = 2, 3), a higher frequency (ωf⁎ = 3) weakens the promotion of the RE field on droplet group coalescence. Upon further increasing the RF field frequency (ωf⁎ ≥ 4), the RE and RF fields exhibit a synergistic effect that jointly facilitates droplet group coalescence. Compared with other field configurations, the coupled RE-RF field more effectively promotes droplet group coalescence, suppresses the formation of strip-like structures, and achieves higher droplet separation efficiency. This study clarifies the microscopic mechanism underlying the enhanced coalescence of nanoparticle-laden droplet groups under the coupled RE-RF field. The findings provide theoretical guidance for the design and optimization of dehydration equipment for produced liquids in nanofluid flooding.

Zr doping is introduced into La-Y-Ni-based alloys to systematically investigate its effects on microstructural evolution and solid-state hydrogen storage properties. Zr doping barely introduces new phases, but remarkably regulates the relative fraction of phases. Notably, preferential tendency of Zr in the [A2B4] subunits decreases the volume of the [A2B4] subunits more substantially than that of the [AB5] subunits, thereby effectively narrowing the volume mismatch between them. Consequently, with increasing Zr content, a single and elevated plateau pressure is achieved. An optimal amount of Zr addition significantly enhances both the reaction kinetics and cyclic stability, as evidenced by the reduced activation energy and the improved retention of particle size and lattice parameters after cycling. Although Zr doping leads to a slight reduction in hydrogen storage capacity, the remarkable improvements in plateau characteristics and cycling lifespan make these Zr-modified La-Y-Ni-based alloys highly promising candidates for future applications through subsequent optimization strategies.

Hard carbon anodes for sodium-ion batteries suffer from unstable solid-electrolyte interphase formation, leading to low initial Coulombic efficiency and poor cycle stability. Herein, we demonstrate a molecular-level surface design that actively orchestrates an anionic bottom-up flux from the electrolyte bulk to the hard carbon interface. By engineering a synergistic pair of pyridinic-N and carbonyl groups on the carbon surface, we create a functional-differentiation microenvironment where pyridinic-N selectively anchors PF6− anions, while the cooperative carbonyl repels solvent molecules. This dual functionality establishes a sustained concentration gradient that drives a continuous reverse flux of anions toward the interface, fundamentally redirecting the electrolyte decomposition pathway from solvent-dominated to anion-preferential. The tailored surface lowers the PF6− decomposition barrier by over 70

Condensable particulate matter (CPM) generated from coal combustion is a significant source of atmospheric fine particulate pollution. Zhundong coal is rich in reserves and high-quality power coal, which is widely used in coalfired power plants. In this study, we investigated the formation and characteristics of CPM during the combustion of Zhundong high-sodium coal, and the effects of combustion conditions, including gas flow rate and combustion temperature on CPM. The results showed that the concentrations of CPM generated from the combustion of two Zhundong high-sodium coals were 33.55 and 32.08 mg/Nm3, and the concentrations of organic and inorganic fractions were 25.37, 23.96 mg/Nm3, and 8.17, 8.11 mg/Nm3, respectively. The organic fractions accounted for about 75.6 and 74.7 % of total CPM, and the main components of the inorganic fractions were Na+, Cl-, and SO42-.Compared with the low-sodium coal (0.55 mg/Nm3), a high concentration of Na+ (0.90 and 0.84 mg/Nm3) was generated in the inorganic fraction of CPM, which was more than 60 % of the total metal cations in the inorganic fraction of CPM. Meanwhile, the concentration of Na+ in CPM increased with the increasing sodium content in three types of coal. Besides, when the gas flow rate increased from 3 L/min to 5 L/min, excess air coefficient (EAC) increased from 1.33 to 2.45, and the total concentration of CPM increased from 23.96 mg/Nm3 to 32.08 mg/Nm3, which was similar to the concentrations of inorganic and organic fractions. Notably, the concentrations of Na+ and Cl-increased significantly. As the combustion temperature of Zhundong coal increased from 1200 degrees C to 1400 degrees C, the concentration of CPM decreased from 35.04 mg/Nm3 to 32.08 mg/Nm3. The concentration of inorganic fractions was not significantly influenced, especially Na+ and Cl-, while the concentration of organic fractions decreased. Moreover, a high combustion temperature intensified SO2 generation in flue gas, leading to an increase in the concentration of SO42-in the inorganic fraction of CPM.

Molybdenum disulfide (MoS2), particularly in its mixed 1T/2H phase, is a highly promising anode candidate for sodium-ion batteries (SIBs). However, it and its composites often suffer from aggregation and solid structure, which limit the specific surface area and reaction kinetics, ultimately leading to unsatisfactory performance. Herein, we present a stepwise strategy to integrate TiO2 hollow spheres with 1T/2H-MoS2 materials for fabricating well-dispersed TiO2 spherical shell-supported 1T/2H-MoS2 composite hollow submicrospheres (or TiO2@1T/2H-MoS2 CHSs), via coating TiO2 shells onto solvothermal-derived Mo-glycerate (MoG) submicrospheres, followed by sulfidation. The as-prepared CHSs (~900 nm) consist of amorphous porous TiO2 inner layers and nanosheet-built, 1T phase-rich 1T/2H-MoS2 outer layers. Contrarily, direct sulfidation of MoG submicrospheres without TiO2 coating yields only solid 1T/2H-MoS2 micro/nanoaggregates with lower 1T phase content. Further, at a current density of 1 A g-1 over 170 cycles, the CHS electrode maintains ~600 mAh g-1 when used as an SIB anode, whereas the bare 1T/2H-MoS2 aggregate-built electrode retains merely 123.9 mAh g-1, exhibiting markedly enhanced cycling stability. Furthermore, the CHS electrode exhibits outstanding rate capability, maintaining a reversible capacity as high as 452.4 mAh g-1 even under an extremely high rate of 10 A g-1. Behind these superior sodium storage capabilities are the unique architecture, which harnesses the benefits of TiO2 shell support, 1T phase-rich MoS2 matrix, large specific surface area (or hollow structure), and heterointerfaces. Overall, this work offers an effective route to fabricating TiO2@1T/2H-MoS2 CHSs and highlights their potential in SIBs for use as an advanced anode.

Investigating the dynamic behavior and reaction mechanism of coal particles in gasifiers is fundamental to advancing gasification technology. Due to the complexity of reaction conditions, a combined experimental and numerical approach is essential for comprehensive analysis. In this study, based on a bench-scale opposed multi-burner coal-water slurry gasifier, the morphology and movement of particles are statistically analyzed. Subsequently, numerical simulation was combined with the results of the hot model experiments, and a realistic physical model of single particles in the gasifier was established to simulate the gasification process and motion behavior of single particles. An ellipsoidal particle model with a simplified rotational motion was developed, to examine the effects of morphology and motion on reaction characteristics. While the volume-averaged temperature differed only slightly between ellipsoidal and spherical particle, the internal temperature distribution was strongly influenced by morphology. However, rotation had a greater impact than morphology. Different rotational behaviors led to varying trends in carbon consumption rates and temperature distributions. Experimentally validated results show that particle rotation induces flame deflection. Investigations on single particle rotation provide quantitative parameters for multi-particle systems, and offer references for particle residence time and its distribution in the gasifier. This study provides microscopic quantitative support for building high-precision detailed full-furnace models, lay a scientific foundation for the optimal design of industrial gasifiers, and ultimately improve the accuracy and engineering applicability of overall simulations.

This study developed an electrochemical-thermal optimization framework for PCM-based battery cooling. Single-factor and multi-parameter analyses evaluated battery arrangement, PCM composition, spacing, and convection.

Particle surface temperature is a key parameter directly affecting coal particle reaction and fragmentation, and its dynamic evolution governs the sub-particle formation process. Based on substantial particle temperature data acquisition, this study indicates that the influence of the average particle surface temperature (APST) and inhomogeneity of the particle surface temperature (IPST) on particle fragmentation is affected insignificantly by the heating conditions. Significantly, the correlation between char fragment generation and APST is weaker than that for IPST, whereas ash pellet formation shows a converse trend. This is attributed to the fact that IPST can directly reveal the reaction rate disparity among different regions of particles, and the structural irregularities induced by such disparity constitute the origin of char fragmentation. Although an increase in APST promotes the generation of sub-particles, it induces the consumption of small-sized char fragments during their detachment. This, in turn, results in an insignificant increase in char fragment production.

A series of Ru/CeO2 catalysts were prepared using the deposition precipitation method, and then were fully characterized and evaluated in methanol steam reforming. The results indicated that, besides the target product H2, CH4 was also generated during methanol steam reforming (MSR). The selectivity towards CH4 was governed by reaction conditions (temperature/water-to-methanol ratio) as well as Ru loading. When the reaction temperature was below 320 degrees C, the CH4 selectivity was very low. However, when the temperature exceeded 340 degrees C, the CH4 selectivity increased and continued to rise with the increase of temperature. The influence of the molar ratio of water to methanol was comparatively complex. At a water-to-methanol molar ratio below 1.0, the CH4 selectivity was very low; however, exceeding the ratio above 1.0 resulted in an increase in the CH4 selectivity. Furthermore, an increase in Ru content promotes the formation of non-solid solution Ru species, thereby enhancing CH4 selectivity. Further investigation revealed that CH4 was not formed through the direct transformation of CH3OH, but was rather generated from reaction intermediates with the participation of water. Given that an optimal molar ratio exists for H2 formation, the mechanism by which water participates in the reaction was extremely complex. Based on the research results, the 0.5%Ru/CeO2 catalyst was identified as the optimal choice, showing the highest specific activity. Under a high weight hourly space velocity (WHSV) of 6 h-1, a reaction temperature ranging from 300 to 380 degrees C, and a water-to-methanol molar ratio from 0.96 to 1.2, higher H2 selectivity was obtained.

The direct contact between flame and refractory is one of the most important factors of refractory lining erosion in typical combustion/gasification chamber. This research attempts to regulate the flame by external force field in order to extend the service life of refractory, while making the flame charged by electric field would be an important prerequisite for manipulating the flame. In this study, an experimental system of a DC electric field applied to a methane-oxygen laminar diffusion flame was developed to investigate the effect of DC electric field on flame stabilization and the feasibility of electric field confinement on the flame. Critical stabilizing voltage (Us) is creatively put forward that flame pulsation amplitude can reach a stable state at this voltage. The findings demonstrate that Us correlation with the equivalence ratio (7) of methane diffusion flame and it reached its maximum when 7 = 1.3. The application of high voltage DC electric field to a pulsating laminar diffusion flame induces an ionic wind effect which would control the air surrounded the flame. The electric power applied on the flame only accounts little of the flame combustion heat power, indicating that only a low electric power consumption is needed to improve laminar diffusion flame stability through the electric field. This basic research is of great significance for the subsequent application of flame stability regulation and life-extension of refractory.

The service life of refractory brick in the slag tapping hole of gasifiers is a significant concern for long-term and stable operation. This study examined the damage mechanism of high chromia refractory of four commercial coal-water slurry gasifiers with their corresponding gasification coal samples and the corroded refractory bricks in the slag tapping hole of the gasifier. The slag characteristic, including crystallization and viscosity-temperature of four gasification coal samples were analyzed. The results revealed that the low viscosity slag could lead to more severe damage to refractory bricks. Given the risk of slag crystallization, it is recommended to establish a safe slag tapping temperature range should be set as tICT (initial crystallization temperature) – t2.5 when tICT is higher than t25. Upon examining interior morphology of these corroded refractory bricks, some cracks were observed within them. The chemical composition of molten slag was analyzed using SEM-EDS. However, XRD results found no spinel containing zirconium in these cracks. This suggests that the emergence of these cracks are mainly attributed to the molten slag penetration and the subsequent reaction with the refractory material. The difference in thermal expansion between the newly formed substances and refractory material is critical in forming these cracks. Furthermore, SEM-EDS analysis was also conducted on the slag-aggregate and the slag-matrix interface. The results reveal that the reduction in Cr2O3 content is the earliest characteristic of damage in high chromia refractories. A proposed damage mechanism of refractory brick suggests that the matrix and aggregate of high chromia refractory are initially compromised because of the reduced Cr2O3 content. Subsequently, the molten slag penetrates the interior of the refractory brick, forming new substances, leading to damage caused by the difference in thermal expansion between the new substances and the refractory brick. Understanding and preventing the reduction of Cr2O3 content is vital to prolonging the service life of refractory brick in the slag tapping hole of the gasifier based on this damage mechanism.

Gasification technology serves as the cornerstone of the modern coal chemical industry. High-temperature particles in entrained-flow gasifiers act as the primary reaction medium, whose reactivity is inherently dependent on particle size, porosity, and local reaction environment. Current experimental investigations on particles within gasifiers predominantly rely on visualization systems, yet face significant challenges in precise particle tracking and quantitative analysis, particularly in diagnosing volatile release processes. This study employed computational fluid dynamics (CFD) numerical simulations to develop a multiphase model to isolate single particle behavior from bulk particle group during coupled combustion-gasification process of coal-water slurry (CWS). Discrete coal particle models with varying configurations were developed to compare reaction characteristics between isolated and interacting particles, while analyzing temperature fields and reaction rate distributions across three porosity levels. Verification demonstrated that the implemented models effectively described the reaction characteristics of coal particles. Results reveal strong correlation between the temperature field distribution and the volatile molar fraction in CWS particle, with H2, H2O, and CO accumulation observed at particle cores. Coupling effects of heat and mass transfer between particles significantly influence reaction rates and thermal profiles, governed by the particle spacing and heat/mass transfer efficiency, whereas the effects of porosity remain relatively minor.