Law Of Diffusion Research Articles

Research on the Rheological Properties and Diffusion Law of Coal-Based Solid Waste Geopolymer Grouting Material

Research on the Rheological Properties and Diffusion Law of Coal-Based Solid Waste Geopolymer Grouting Material

Spatial feasibility prediction of green hydrogen scale-up in China under decarbonization policies: Based on improved diffusion model

Hydrogen production from renewable electrolysis is a suitable transformative technology for driving a cleaner energy mix, mitigating climate change, and achieving sustainable development and has been given the color value definition of "green hydrogen". However, this low-carbon technology is still in its infancy, and the pathways for expanding market supply have not been analyzed. To address the problems of unclear factors influencing the diffusion of green hydrogen technology innovation, unclear technology diffusion laws, and inaccurate predictions of regional green hydrogen production capacity under the goal of decarbonization policy, this work constructs a spatial assessment framework of the feasibility of low-carbon technology development in response to climate change on the basis of the theory of technological innovation systems, the improved technology diffusion model, and the feasibility of climate change spatial concepts to analyze and predict the diffusion law and regional green hydrogen production capacity of hydrogen production by renewable energy under the goal of carbon neutrality. The results of the study on the development of renewable hydrogen technology in China show that it follows the law of diffusion of low-carbon technologies in both the formation and growth stages. The diffusion of green hydrogen technology in the formation stage is slow, and the regional green hydrogen capacity in the near term cannot meet the decarbonization policy target demand in 2030. Before the spatial inflection point of technology diffusion feasibility, the demand-pull of the phase decarbonization policy target dominated the stability and sustainability of the green hydrogen supply market. After the inflection point, the internal growth of technology diffusion plays a key role in market diffusion and ultimately reaches a saturation value under the joint regulation of policy and the market to realize a carbon-neutral target capacity demand in 2060. The uncertainty of diffusion model parameters leads to anomalies in the feasibility space of technology diffusion, and risks such as overcapacity or insufficient demand in some regions may occur. Overall, this work provides a systematic assessment system for analyzing and predicting the pathways and characteristics of expanding renewable hydrogen production in specific regions under decarbonization policy objectives.

A deformation-diffusion interactive model to study crack-tip behaviour and predict crack growth rate under fatigue and hydrogen-embrittlement conditions

Hydrogen is accepted as a cleaner and more sustainable energy source, since it carries abundant energy and does not produce any effluent gas from burning when compared to fossil fuels. However, long-term degradation in mechanical properties, attributed to hydrogen embrittlement, is reported for metallic materials exposed to gaseous hydrogen, leading to accelerated crack growth behaviour under fatigue. In this paper, a visco-plastic deformation-diffusion interactive model is developed to study fatigue crack growth behaviour in a nickel-based superalloy under hydrogen-embrittlement condition. In the model, cyclic deformation is described by visco-plasticity constitutive model, while hydrogen diffusion is simulated by a modified form of Fick’s first law of diffusion which can address hydrogen diffusion driven by the hydrostatic stress gradient. In particular, trapped hydrogen, expressed as dependent on both diffusible hydrogen concentration and inelastic strain, is considered in the modelling of hydrogen diffusion. The model also describes the effects of hydrogen concentration on mechanical deformation by considering its influence on the evolution of isotropic hardening as well as on the strain state. Interaction between cyclic deformation and hydrogen diffusion is therefore studied for a crack tip in a compact tension specimen subjected to fatigue and hydrogen attack, showing a strong dependency on both loading frequency and stress intensity factor range. Subsequently, a two-parameter criterion is proposed for fatigue crack growth prediction, which accounts for the contributions of both cyclic deformation and hydrogen diffusion. The predictions show a good agreement with experimental data in terms of crack growth rate under fatigue and hydrogen-embrittlement conditions.

Diffusion law and diffusion model for backfill grouting in loess shield tunnel at different soil moisture

Loess is a special type of soil whose properties are significantly affected by water. However, the grout diffusion law for backfill grouting in loess shield tunnels remains unknown. Based on a visual model experimental device, three experiments were conducted with 10%, 20%, and 30% loess moisture. A finite discrete element method was used to verify the grout diffusion mode, and parameters such as the tunnel buried depth, grout viscosity, and elastic modulus were considered to analyse the grout diffusion law. Experiments and numerical simulations show that the screening diffusion of grout occurs at low loess moisture, whereas splitting diffusion occurs at high loess moisture. The farthest splitting diffusion distance decreases as the tunnel buried depth, grout viscosity, and elastic modulus increase. In addition, based on capillary theory and geotechnical strength criteria, screening diffusion and splitting diffusion models were established. This study investigated the grout diffusion law and grout diffusion model, providing a reference for the design and construction of loess shield tunnels.

Solid-liquid phase microextractive adsorption of bio-lactic acid by a novel microextractor immobilizing ionic liquid A336

The separation of biochemicals poses significant challenges, such as complex product composition, strong hydrophilicity, and high boiling point, which leads to laborious procedures, low yield, and high energy consumption. These obstacles have become bottlenecks for the industrialization of biochemicals. To enhance the efficient separation of bio-lactic acid, a novel microextractor, PS-A336, was synthesized through the copolymerization of ionic liquid (IL) A336 onto a polystyrene (PS) skeleton and further employed to investigate the solid–liquid phase microextractive adsorption (SLPMA). Extensive analysis of PS-A336 microstructure and chemical composition demonstrated its exceptional performance with a rapid (< 20 min) adsorption capacity (1150 mg/g) for LA in the batch system, which is the highest value reported and 11.0 times higher than that of the pristine supports. PS-A336 maintained its stability even after 15 cycles of column chromatography. Its adsorption behavior also fits the common thermodynamic and kinetic models, and it is better for the SLPMA kinetic model established on Fick diffusion law. Additionally, PS-A336 exhibited high adsorption capacity and selectivity for LA from the fermentation broth, achieving above 98 % removal ratios to proteins, inorganic salts, and pigments. The double hydrogen bonds between PS-A336 and LA were identified as the primary driving forces for SLPMA following theoretical and structural investigations. Notably, the immobilized IL in PS-A336 exhibited a remarkable microextraction effect, i.e., an increase in extractive capacity at least 16.6 times due to 59.8-fold improvement in the interface area compared with the bulk IL, which is 28.6 times higher than the adsorption capacity of PS skeleton. Our findings provided new insights into the combination of extraction and adsorption, as well as valuable guidance for the efficient separation of bio-based chemicals.

Ultralong Compositional Gradient Perovskite Nanowires Fabricated by Source-Limiting Anion Exchange.

Anion exchange in halide perovskites offers prospective approaches to band gap engineering for miniaturized and integrated optoelectronic devices. However, the band engineering at the nanoscale is uncontrollable due to the rapid and random exchange nature in the liquid or gas phase. Here, we report a source-limiting mechanism in solid-state anion exchange between low-dimensional perovskites, which readily gives access to ultralong compositional gradient nanowires (NWs) with lengths of up to 100 μm. The exchanged NWs remain single-crystalline with intact morphology, while the halogen content exhibits an apparent gradient distribution, leading to a tapered energy band profile along a NW. In the dynamic study of anion behavior, it is shown that the spatial stoichiometric composition can be precisely tuned following Fick's law of diffusion. In addition, self-powered, spectrally resolved photodetectors incorporating multiple detection units within a single gradient NW are demonstrated. This work provides a feasible strategy for the realization of perovskite-based ultracompact optoelectronics, imaging sensors, and other miniaturized semiconductor devices.

Numerical simulation of the temporal and spatial evolution of sandstone pore type reservoir damage types and severity

During the oilfield development process, various factors can cause different types of reservoir damage, leading to reduced oil well production or even shutdown, and decreased water injection capacity in water wells, resulting in significant economic losses for the oilfield. However, formation damage control measures must be based on the quantitative diagnosis of the types and degrees of reservoir damage. This paper establishes a spatiotemporal evolution numerical model for 12 common types of damage during the oil and gas exploration and development process, based on the material balance theory and Fick’s diffusion law in reservoir damage processes. This model achieves numerical simulation of the degree of various reservoir damage types in different spatiotemporal domains. The overall damage degree of a specific well’s evolution with time and space is further simulated in simple superposition way. The sequential core flow experiment was carried out in the laboratory, and then compared with the calculation results. The accuracy is above 90%. Finally, using field test data, the simulation results show a 95% or higher degree of agreement with the actual field measurements, proving that the reservoir damage spatiotemporal evolution quantitative simulation technology established in this paper has high accuracy and practicality.

Heat and mass transfer during conductive drying of washing phosphate sludge

This study investigates the influence of drying temperature on the conductive drying behavior of washing phosphate sludge. A mathematical model, based on Fourier's Fick diffusion law and the heat transfer equation, was developed to simulate coupled heat and mass transfer during the drying process, incorporating the shrinkage effect. The sludge samples, obtained from the Khouribga phosphate plant in Morocco, were subjected to drying at temperatures of 70°C and 95°C. The experimental setup included continuous monitoring of temperature, humidity, and mass loss throughout the process. COMSOL Multiphysics software was used to solve the nonlinear equations governing heat and mass transfer. Results indicate that increasing the drying temperature significantly accelerates the drying rate. The model successfully predicts the moisture content and temperature distribution over time, aligning well with experimental data. Statistical validation, using the determination coefficient (R²) and root mean square error (RMSE), confirms that the model accurately describes the drying behavior, with R² values of 0.9957 and 0.9967 at 70°C and 95°C, respectively. The inclusion of the shrinkage effect enhances the model's precision in describing the drying kinetics under varying conditions.

Analytical Solutions for Axisymmetric Diffusion of Organic Pollutants in a Circular‐Shaped Cutoff Wall System

ABSTRACTThrough the variable substitution and separated variable methods, this study develops a two‐dimensional (2‐D) axisymmetric diffusion analytical solution for organic pollutants in a circular‐shaped cutoff wall (CCW) system for the first time, which can more precisely and reasonably simulate the diffusion behaviors in “circular‐shaped” vertical barriers. Then, the proposed analytical solution's reasonableness is verified by comparing it with an existing analytical solution and a corresponding finite‐difference solution. Meanwhile, the comparison suggests that this solution will degrade to a 2‐D diffusion analytical solution when the pollution source radius is large enough. Furthermore, the presented analytical solution can also be simplified to a one‐dimensional axisymmetric diffusion analytical solution, or to the axisymmetric diffusion analytical solutions in a single‐layered medium. These exact analytical solutions can not only be applied to study axisymmetric diffusion behaviors under specific scenarios, but also be used to validate other complex numerical models. Last, a case study is conducted to investigate the impacts of pollution source concentration distribution, CCW horizontal thickness, and defined equivalent diffusion coefficient on the barrier performance. Overall, the proposed analytical solutions and obtained diffusion laws in this study can provide guidance for the service effect assessment and the engineering design of cutoff walls.

Research on the Dynamic Leaking and Diffusion Law of Hydrogen-Blended Natural Gas under the Soil–Atmosphere Coupled Model

With the breakthrough in mixing hydrogen into natural gas pipelines for urban use, the widespread application of hydrogen-blended natural gas (HBNG) in energy delivery is imminent. However, this development also introduces significant safety concerns due to notable disparities in the physical and chemical properties between methane and hydrogen, heightening the risks associated with gas leaks. Current models that simulate the diffusion of leaked HBNG from buried pipelines into the atmosphere often employ fixed average leakage rates, which do not accurately represent the dynamic nature of gas leakage and diffusion. This study uses computational fluid dynamics (CFD) 2024R1 software to build a three-dimensional simulation model under a soil–atmosphere coupling model for HBNG leakage and diffusion. The findings reveal that, in the soil–atmosphere coupling model, the gas diffusion range under a fixed leakage rate is smaller than that under a dynamic leakage rate. Under the same influencing factors in calm wind conditions, the gas primarily diffuses in the vertical direction, whereas under the same influencing factors in windy conditions, the gas mainly diffuses in the horizontal direction.

Stick, Slide, or Bounce: Charge Density Controls Nanoparticle Diffusion.

The diffusion and interaction dynamics of charged nanoparticles (NPs) within charged polymer networks are crucial for understanding various biological and biomedical applications. Using a combination of coarse-grained molecular dynamics simulations and experimental diffusion studies, we investigate the effects of the NP size, relative surface charge density (ζ), and concentration on the NP permeation length and time. We propose a scaling law for the relative diffusion of NPs with respect to concentration and ζ, highlighting how these factors influence the NP movement within the network. The analyses reveal that concentration and ζ significantly affect NP permeation length and time, with ζ being critical, as critical as concentration. This finding is corroborated by controlled release experiments. Further, we categorize NP dynamics into sticking, sliding, and bouncing regimes, demonstrating how variations in ζ, concentration, and NP size control these behaviors. Through normalized attachment time (NAT) analyses, we elucidate the roles of electrostatic interactions, steric hindrance, and hydrodynamic forces in governing NP dynamics. These insights provide guidance for optimizing NP design in targeted drug delivery and advanced material applications, enhancing our understanding of NP behavior in complex environments.

Poly (lactic acid) electrospun nanofiber membranes: Advanced characterization for biomedical applications with drug loading performance studies

Traditional dressings have shortcomings such as poor moisture absorption and easy to adhere, making the development of new dressings crucial. In this work, a PLA/PVP crosslinked drug-loaded nanofiber membrane was prepared through electrospinning and ultraviolet crosslinking, with poly (lactic acid) (PLA), polyvinylpyrrolidone (PVP), and salicylic acid (SA) as starting materials. The results demonstrated that the inclusion of PVP notably boosted the viscosity and conductivity of the blend spinning solution. The roughness of the fabricated fiber was elevated, and the diameter of the fibers was more uniform. Additionally, the incorporation of PVP not only enhanced the porosity of the fiber membrane but also effectively decreased its contact angle. Notably, when the PVP content reached 40 %, the contact angle underwent a substantial reduction, decreasing significantly from 125.4° to 82.2°. The SA drug-loaded fiber membrane exhibited a notable bacteriostatic effect against Escherichia coli and Staphylococcus aureus, with its release behavior adhering to Fick's diffusion law. In the cell viability experiment, the cell proliferation rate increased from 94 % to 129 % after 3 days. This shows that the prepared membrane has good antibacterial effect and cell compatibility, which provides a theoretical basis for the construction of a new medical dressing.

Diffusion Mechanism of Variable-Rate Grouting in Water Prevention and Control of Coal Mine

Regional grouting treatment is an effective technical means to prevent mine water disasters, and the grouting effect is affected by many factors. In actual grouting engineering, the single constant-rate grouting method is often transformed into a variable-parameter grouting process. However, research on grouting rates has been insufficient. This investigation focused on the issue of “the diffusion law of variable-rate grouting slurry in regional governance”. Methods such as theoretical analysis, numerical simulation, and field verification were used to evaluate the diffusion mechanism of variable-rate fracture grouting. The results indicated that the key parameters of variable-rate grouting, such as slurry diffusion distance and grouting pressure, were affected by the grouting rate. The decrease in the grouting rate reduced the migration speed of the slurry and the grouting pressure. The time for constant-velocity grouting and variable-velocity grouting to reach the same diffusion distance was 60 s and 108 s, respectively, which can be achieved with lower grouting pressure. When the grouting rate was 7.5 L/min and 30 L/min, the maximum grout diffusion distance was 2.81 m and 5.64 m, respectively, which required greater grouting pressure. The slurry diffusion rate decreased with the reduction in the grouting rate. Under the same diffusion distance conditions, variable-rate grouting took longer than constant high-rate grouting. In variable-rate grouting, the grouting pressure decreased stepwise with the grouting rate, with a final pressure drop of 77.4%. In grouting practice, the innovative use of the rate-reducing grouting method can greatly reduce the final grouting pressure under the premise of changing the slurry diffusion distance less, which can not only ensure the stability of surrounding rock but also reduce the cost of high-pressure grouting and the risk of grouting operation. The investigation results can provide scientific guidance for ground grouting renovation projects in deep coal mine water hazard areas.

On the timescales in the chaotic dynamics of a 4D symplectic map.

In this work, we investigate different timescales of chaotic dynamics in a multi-parametric 4D symplectic map. We compute the Lyapunov time and a macroscopic timescale, the instability time, for a wide range of values of the system's parameters and many different ensembles of initial conditions in resonant domains. The instability time is obtained by plain numerical simulations and by its estimates from the diffusion time, which we derive in three different ways: through a normal and an anomalous diffusion law and by the Shannon entropy, whose formulation is briefly revisited. A discussion about which of the four approaches provide reliable values of the timescale for a macroscopic instability is addressed. The relationship between the Lyapunov time and the instability time is revisited and studied for this particular system where in some cases, an exponential or polynomial law has been observed. The main conclusion of the present research is that only when the dynamical system behaves as a nearly ergodic one such relationship arises and the Lyapunov and instability times are global timescales, independent of the position in phase space. When stability regions prevent the free diffusion, no correlations between both timescales are observed, they are local and depend on both the position in phase space and the perturbation strength. In any case, the instability time largely exceeds the Lyapunov time. Thus, when the system is far from nearly ergodic, the timescale for predictable dynamics is given by the instability time, being the Lyapunov time its lower bound.

Deactivated fused silica tubing: A solution for flexible time weighted averaging needle trap sampling

In time-weighted averaging (TWA) with needle trap extraction (NTE), the control of the sampling rate is critical for accurate analysis. By adjusting the diffusion length and cross-sectional area, the sampling rate can be modified in accordance with Fick's first law of diffusion. In this study, deactivated fused silica tubing (DFST) of varying lengths was used to fine-tune these parameters, allowing for precise control of the sampling rate in TWA-NTE devices.The fabricated devices were used to extract benzene, toluene, ethylbenzene, o-xylene (BTEX), and selected alkanes as model compounds. Experimental sampling rates were obtained using a standard gas flow generating system and compared to theoretical values, showing statistical similarity. The devices were tested in various real-world environments, including a parking lot, garages, and a box containing a burning candle, and their practical applicability was confirmed. The use of DFST effectively controlled both diffusion length and cross-sectional area, thereby enhancing sampling performance.The results of this study demonstrate that DFST serves as a versatile and adjustable attachment for needle trap devices (NTD), significantly broadening the range of NTD applications in terms of concentration and sampling time. This approach not only reduces analysis costs but also improves adherence to Fick's law by minimizing the influence of other mass transfer mechanisms. Consequently, more consistent and predictable extraction behavior was observed, particularly for higher molecular weight species, strengthening the overall applicability of the TWA-NTE method.

Numerical Simulation Study of Gas–Liquid–Solid Triphase Coupling in Fully Mechanized Excavation Faces with Variation in Dust Source Points

In view of the current situation where research on the dust diffusion laws of different dust source points is limited and the gap with the actual field situation is too large; this study employs an innovative gas–liquid–solid triphase coupling method to investigate how dust moves and spreads in the fully mechanized excavation face 431305 at the Liangshuijing Mine; focusing on both the dust field and the dust–fog coupled field. The results indicate that using the long-pressure short-suction ventilation method; dust movement in the roadway is primarily influenced by the airflow; which can be classified into vortex; jet; and return flow regions. The analysis reveals that different dust source points affect dust distribution patterns. Dust source 1 generates the highest dust concentration; primarily accumulating on the duct side and return air side of the roadway. By contrast; dust source 2’s dust mainly gathers at the heading and the front of the cutting head. Dust sources 3 and 4 show lower dust concentrations near the top of the roadway. Dust source 5 achieves the most effective dust removal; aided by airflow and a suction fan; showcasing superior dust performance. A comprehensive comparison indicates that dust source 1 has the highest overall dust concentration. Therefore; further simulation of the distribution law of dust generated at dust source 1 under the action of water mist reveals that the dust concentration near the heading face is reduced from 2000 mg/m3 under the action of single air flow to about 1100 mg/m3. At t = 5 s; the spray droplets almost cover the entire tunneling face; leading to a significant decrease in dust concentration within 10–25 m from the tunneling face. Within 40 s; both coal dust and spray droplets are significantly reduced. The field measurement results verify the accuracy of the simulation results and provide certain guidance for promoting the sustainable development of the coal industry.

Defect related anomalous mobility of small polarons in dielectric oxides at the example of congruent lithium niobate

Polarons play a major role in the description of optical, electrical and dielectrical properties of several ferroelectric oxides. The motion of those particles occurs by elementary hops among the material lattice sites. In order to compute macroscopic transport parameters such as charge mobility, normal (i.e. Fickian) diffusion laws are generally assumed. In this paper we show that when defect states able to trap the polarons for long times are considered, significant deviations from the normal diffusion behaviour arise. As an example of this behavior, we consider here the case of lithium niobate (LN). This can be considered as a prototypical system, having a rich landscape of interacting polaron types and for which a significant wealth of information is available in literature. Our analysis considers the case of a stoichiometric, defect-free lithium niobate containing a certain concentration of small electron polarons hopping on regular Nb sites, and compares it to the material in congruent composition, which is generally found in real-life applications and which is characterized by a large concentration of antisite NbLi defects. While in the first case the charge carriers are free polarons hopping on a regular Nb sublattice, in the second case a fraction of polarons is trapped on antisite defects. Thus, in the congruent material, a range of different hopping possibilities arises, depending on the type of starting and destination sites. We develop a formalism encompassing all these microscopic processes in the framework of a switching diffusion model which can be well approximated by a mobile–immobile transport model providing explicit expressions for the polaron mobility. Finally, starting from the Marcus–Holstein’s model for the polaron hopping frequency we verify by means of a Monte Carlo approach the diffusion/mobility of the different polarons species showing that, while free polarons obey the laws for normal diffusion as expected, bound polarons follow an anomalous diffusion behaviour and that in the case of the congruent crystal where mixed free and bound polaron transport is involved, our expressions indeed provide a satisfactory description.

Experimental and modeling approaches to determine drug diffusion coefficients in artificial mucus

Asthma, usually characterized by inflammation and mucus accumulation, causes restricted airflow and impaired lung function. The physiological and biochemical characteristics of mucus pose a strong barrier for drugs administered orally or via the pulmonary route for asthma treatment. In this study, two drugs commonly employed in the treatment of asthma, theophylline and albuterol, were placed in contact with an artificial mucus layer, measuring their interface concentrations, and modeling the concentration profiles to determine their diffusion coefficients. To monitor the diffusion process, the upper surface of a mucus layer was placed in contact with the drug solutions and the lower mucus surface was in contact with a zinc selenide crystal to allow for time-resolved Fourier transform infrared spectroscopy (FTIR) measurements. FTIR spectra were collected at constant time intervals and monitored for quantitative changes in spectral peaks corresponding to functional groups specific to each of these drugs. Changes in peak heights were correlated to concentration via Beer's Law. Fick's 2nd Law of Diffusion was used along with Crank's trigonometric series solution for a planar semi-infinite sheet to analyze the concentration data and determine diffusion coefficients. Using this method, fitting the experimental data resulted in diffusivity coefficients of D = 6.56 x 10−6 cm2/s for theophylline and D = 4.66 x 10−6 cm2/s for albuterol through artificial mucus. The drug diffusivity coefficients align closely with literature reports, wherein, diffusivity data was obtained experimentally using a rotating-disk apparatus and intrinsic dissolution technique. By coupling analytical and experimentally determined drug diffusion data, this approach provides a fast, non-invasive method for quickly assessing drug diffusion profiles through complex media.

There is no limitation for CO2 excretion across the lung in exercising American alligators (Alligator mississippiensis).

Vertebrates utilize various respiratory organs like gills, lungs, and skin in combination with diverse cardiovascular structures, including single, three, and four-chambered hearts, to enable oxygen delivery and carbon dioxide removal. They also exhibit differences in aerobic and anaerobic metabolism during exertion, but the cardiorespiratory gas transport of all vertebrates follow is a similar a four-step process governed by Fick's Principle and Fick's Law of Diffusion over the entire range of metabolic rates. Hillman et al. (2013) suggested that previous exercise studies have focused too narrowly on mammals and proposed that the cardiorespiratory system's excess capacity serves an evolutionary role in enhancing CO2 excretion in non-mammalian vertebrates. In contrast, an analysis by Hicks and Wang (2021) concluded that vertebrates maintain effective gas exchange even at peak activity, finding no evidence of arterial hypercapnia at maximal oxygen consumption and thus challenging the proposal of significant limitations to pulmonary or branchial CO2 efflux. In the present study, we investigate the limits for CO2 exchange in exercising American alligators (Alligator mississippiensis) and provide evidence that the cardiorespiratory system is adequately built to sustain CO2 excretion during strenuous exercise and maintain arterial PCO2 , with no evidence of diffusion limitation for pulmonary CO2 excretion.

Metal-enhanced carbon-nitrogen material for selective detection of hazardous gases: Insights from interface electronic states

In this study, utilizing density functional theory, the C3N1 monolayer modified by Ir, Pd, Pt, and Rh atoms (Ir/Pd/Pt/Rh-C2N1) was chosen for selective adsorption of C2H2 amidst multiple gases (H2O, C2H2, and C4H10O2). According to the results of cohesive energy and ab initio molecular dynamics simulations, it is indicated that precious metal atoms can be stably anchored on the monolayer while enhancing the conductivity of the material The analysis of the electrostatic potential and work function determined the highly active sites and electron release capacity. In addition, the adsorption energy and distance disclosed the gas-solid interface structure of multiple gases on the Ir/Pd/Pt/Rh-C2N1 monolayer. Importantly, C2H2 exhibits strong responses to p-type semiconductor Pt-C2N1 and n-type semiconductor Ir-C2N1, respectively. Crystal Orbital Hamilton Population reveals the difference in adsorption energy due to modifications involving four precious metals. Interestingly, for the first time, the density of states calculation reveals that under the coexistence of multiple gases, the Pt/Ir-C2N1 monolayer effectively eliminates the interference of other gases and has a unique response only to C2H2. In real situations, with the basis of Gibbs free energy and Einstein's law of diffusion, it was determined that Pt-C2N1 and Ir-C2N1 showed excellent hydrophobicity, a wider temperature range, and a low diffusion activation energy barrier. In summary, Pt-C2N1 and Ir-C2N1 detect C2H2 without interference, maintaining fundamental principles, responsiveness, stability, and versatility unaffected by external factors.