Data-based real-time petrochemical gas diffusion simulation approach on virtual reality

Background Petrochemical products possess a high risk of flammability,explosivity,and toxicity,making petrochemical accidents exceedingly destructive.Therefore,disaster analysis,prediction,and real-time simulations have become important means of controlling and reducing accident hazards.Methods This study proposes a complete real-time simulation solution of gas diffusion with coordinate and concentration data,which was mainly aimed at simulating the types of harmful gas leakage and diffusion accidents in the petrochemical industry.The rendering effect was more continuous and accurate through grid homogenization and trilinear interpolation.This study presents a data processing and rendering parallelization process to enhance simulation efficiency.Gas concentration and fragment transparency were combined to synthesize transparent pixels in a scene.To ensure the approximate accuracy of the rendering effect,improve the efficiency of real-time rendering,and meet the requirement of intuitive perception using concentration data,a weighted blended order-independent transparency(OIT)with enhanced alpha weight is presented,which can provide a more intuitive perception of the hierarchical information of concentration data while preserving depth information.This study compares and analyzes three OIT algorithms-depth peeling,weighted blended OIT,and weighted blended OIT with enhanced alpha weight-in terms of rendering image quality,rendering time,required memory,and hierarchical information.Results Using weighted blended OIT with an enhanced alpha weight technique,the rendering time was shortened by 53.2%compared with that of the depth peeling algorithm,and the texture memory required was significantly smaller than that of the depth peeling algorithm.The rendering results of weighted blended OIT with an enhanced alpha weight were approximately accurate compared with those of the depth peeling algorithm as the ground truth,and there was no popping when surfaces passed through one another.Simultaneously,compared with weighted blended OIT,weighted blended OIT with an enhanced alpha weight achieved an intuitive perception of the hierarchical information of concentration data.

Electrocatalytic CO_(2) reduction to C_(2)H_(4): From lab to fab

The global concerns of energy crisis and climate change,primarily caused by carbon dioxide(CO_(2)),are of utmost importance.Recently,the electrocatalytic CO_(2) reduction reaction(CO_(2)RR) to high value-added multi-carbon(C_(2+)) products driven by renewable electricity has emerged as a highly promising solution to alleviate energy shortages and achieve carbon neutrality.Among these C_(2+) products,ethylene(C_(2)H_(4))holds particular importance in the petrochemical industry.Accordingly,this review aims to establish a connection between the fundamentals of electrocatalytic CO_(2) reduction reaction to ethylene(CO_(2)RRto-C_(2)H_(4)) in laboratory-scale research(lab) and its potential applications in industrial-level fabrication(fab).The review begins by summarizing the fundamental aspects,including the design strategies of high-performance Cu-based electrocatalysts and advanced electrolyzer devices.Subsequently,innovative and value-added techniques are presented to address the inherent challenges encountered during the implementations of CO_(2)RR-to-C_(2)H_(4) in industrial scenarios.Additionally,case studies of the technoeconomic analysis of the CO_(2)RR-to-C_(2)H_(4) process are discussed,taking into factors such as costeffectiveness,scalability,and market potential.The review concludes by outlining the perspectives and challenges associated with scaling up the CO_(2)RR-to-C_(2)H_(4) process.The insights presented in this review are expected to make a valuable contribution in advancing the CO_(2)RR-to-C_(2)H_(4) process from lab to fab.

Characteristics and accumulation mechanism of tight sandstone gas reservoirs in the Upper Paleozoic, northern Ordos Basin, China

The Ordos Basin is a significant petroliferous basin in the central part of China.The Carboniferous and Permian deposits of transitional and continental facies are the main gas-bearing layers in the north part of the basin.The Carboniferous and Permian natural gas reservoirs in the northern Ordos Basin are mainly tight sandstone reservoirs with low porosity and low permeability,developing lots of ＂sweet spots＂ with comparatively high porosity and permeability.The tight sandstones in the study area are gas-bearing,and the sweet spots are rich in gas.Sweet spots and tight sandstones are connected rather than being separated by an interface seal.Sweet spot sand bodies are vertically and horizontally overlapped,forming a large gas reservoir group.In fact,a reservoir formed by a single sweet spot sand body is an open gas accumulation.In the gentle dipping geological setting and with the source rocks directly beneath the tight reservoirs over a large area,the balance between gas charging into tight reservoirs from source rocks and gas loss from tight reservoirs through caprock is the key of gas accumulation in tight sandstones.Both the non-Darcy flow charging driven by source-reservoir excess pressure difference and the diffusion flow charging driven by source-reservoir gas concentration difference play an important role in gas accumulation.The results of mathematical modeling indicate that the gas accumulation cannot be formed by just one of the above mechanisms.The diffusion of gas from source rocks to reservoirs is a significant mechanism of tight sandstone gas accumulation.

Analysis of factors affecting vent system for underground gas storage

The operating conditions of vent system for underground gas storage was introduced. The numerical simulation of the diffusion process of natural gas was conducted using process hazard analysis software tool （PHAST） with gas release velocity greater than 40 000 m^3/h. The effects of release velocity, atmospheric stability and wind speed on the diffusion area, flash fire, explosion and spray fire of natural gas were analyzed. The results show that the higher release velocity is, the bigger explosive area is; the stabler atmosphere is, the less natural gas diffuses; the lower wind speed is, the less natural gas diffuses, and the lower diffusion speed is, the bigger dangerous area is. Moreover, wind speed also has an effect on flash fire and heat radiation. In order to ensure safety of vent process of natural gas storage, the release velocity should be controlled and atmospheric conditions should be considered at the same time.

A general solution and approximation for the diffusion of gas in a spherical coal sample

The square root relationship of gas release in the early stage of desorption is widely used to provide a simple and fast estimation of the lost gas in coal mines. However, questions arise as to how the relationship was theoretically derived, what are the assumptions and applicable conditions and how large the error will be. In this paper, the analytical solutions of gas concentration and fractional gas loss for the diffusion of gas in a spherical coal sample were given with detailed mathematical derivations based on the diffusion equation. The analytical solutions were approximated in case of small values of time and the error analyses associated with the approximation were also undertaken. The results indicate that the square root relationship of gas release is the first term of the approximation, and care must be taken in using the square root relationship as a significant error might be introduced with increase in the lost time and decrease in effective diameter of a spherical coal sample.

Effect of an electrostatic field on gas adsorption and diffusion in tectonic coal

The characteristics of adsorption, desorption, and diffusion of gas in tectonic coal are important for the prediction of coal and gas outbursts. Three types of coal samples, of which both metamorphic grade and degree of damage is different, were selected from Tongchun, Qilin, and Pingdingshan mines. Using a series of experiments in an electrostatic field, we analyzed the characteristics of gas adsorption and diffusion in tectonic coal. We found that gas adsorption in coal conforms to the Langmuir equation in an electrostatic field. Both the depth of the adsorption potential well and the coal molecular electroneg- ativity increases under the action of an electrostatic field. A Joule heating effect was caused by changing the coal-gas system conductivity in an electrostatic field. The quantity of gas adsorbed and AP result from competition between the depth of the adsorption potential well, the coal molecular electronegativ- ity, and the Joule heating effect. △P peaks when the three factors control behavior equally. Compared with anthracite, the impact of the electrostatic field on the gas diffusion capacity of middle and high rank coals is greater. Compared with the original coal, the gas adsorption quantity,△P, and the gas diffusion capacity of tectonic coal are greater in an electrostatic field. In addition, the smaller the particle size of tectonic coal, the larger the△P.

Gas diffusion in a cylindrical coal sample – A general solution,approximation and error analyses

The analytical mathematical solutions of gas concentration and fractional gas loss for the diffusion of gas in a cylindrical coal sample were given with detailed mathematical derivations by assuming that the diffusion of gas through the coal matrix is concentration gradient-driven and obeys the Fick’s Second Law of Diffusion.The analytical solutions were approximated in case of small values of time and the error analyses associated with the approximation were also undertaken.The results indicate that the square root relationship of gas release in the early stage of desorption,which is widely used to provide a simple and fast estimation of the lost gas,is the first term of the approximation,and care must be taken in using the square root relationship as a significant error might be introduced with increase in the lost time and decrease in effective diameter of a cylindrical coal sample.

Ice-Shielding Models for Self-Preservation of Gas Hydrates

The self-preservation of methane hydrate is a key process in its engineering applications because the hydrate can survive for a significant period under atmospheric pressure and moderate temperature. Some experiments have predicted that the shielding ice formed on the hydrate surface after initial dissociation of the hydrate plays an important role in the self-preservation effect. We propose ice-shielding models of gas hydrates to investigate the dissociation rates quantitatively, including the self-preservation process, at temperatures below the ice-melting point and at atmospheric pressure. Three general models are constructed for two temperature ranges The rate-determining process for the lower temperature range is hydrate dissociation, and those for the higher range are gas diffusion through ice or hydrate layers, which depend on the thickness of the shielding-ice layer. Our models suggest that the extent of self-preservation depends on temperature, original hydrate size, and guest substances, which can explain the experimental results.

Numerical simulation to evaluate gas diffusion of turbulent flow in mine ventilation system

Tracer gas technique is a method to analyze the airflow path, measure the airflow quantity, and detect any recirculation or leakages in underground mine. In addition, it is also possible to evaluate the axial gas diffusion of gas in turbulent bulk flow by utilizing the tracer gas data. This paper discussed about the measurement using tracer gas technique in Cibaliung Underground Mine, Indonesia and the evaluation of effective axial diffusion coefficient, E, by numerical simulation. In addition, a scheme to treat network flow in mine ventilation system was also proposed. The effective axial diffusion coefficient for each airway was evaluated based on Taylor's theoretical equation. It is found that the evaluated diffusion coefficient agrees well with Taylor's equation by considering that the wall friction factor, f, is higher than those for smooth pipe flow. It also shows that the value of effective diffusion coefficient can be inherently determined and the value is constant when matching with other measurements. Furthermore, there are possibilities to utilize the tracer gas measurement data to evaluate the airway friction factors.

Electrochemical disinfection using the gas diffusion electrode system

A study on the electrochemical disinfection with H202 generated at the gas diffusion electrode （GDE） from active carbon/poly- tetrafluoroethylene was performed in a non-membrane cell. The effects of Pt load and the pore-forming agent content in GDE, and operating conditions were investigated. The experimental results showed that nearly all bacterial cultures inoculated in the secondary effluent from wastewater treatment plant could be inactivated within 30 min at a current density of 10 mA/cm^2. The disinfection improved with increasing Pt load. Addition of the pore-forming agent NH4HCO3 improved the disinfection, while a drop in the pH value resulted in a rapid rise of germicidal efficacy and the disinfection time was shortened with increasing oxygen flow rate. Adsorption was proved to be ineffective in destroying bacteria, while germicidal efficacy increased with current density. The acceleration rate was different, it initially increased with current density. Then decreased, and finally reached a maximum at a current density of 6.7 mA/cm^2. The disinfection also improved with decreasing total bacterial count. The germicidal efficacy in the cathode compartment was approximately the same as in the anode compartment, indicating that the contribution of direct oxidation and the indirect treatment of bacterial cultures by hydroxyl radical was similar to the oxidative indirect effect of the generated H2O2.

A Study of Gas Diffusion Electrodes for the Coupled Reaction of Water Electrolysis and Electrocatalytic Benzene Hydrogenation

Gas diffusion electrodes are applied to the coupled reaction of water electrolysis and electrocatalytic benzene hydrogenation. The effects of the preparation conditions of electrodes, electrolyte acidity, the concentration of benzene and water vapor, and the flow rate of N2 are investigated by evaluating the efficiency of the current. Furthermore, the optimal operational conditions have been ascertained. The results of our experiment show that gas diffusion electrodes have good performance when the content of PTFE is 10% (wt) and that of Nafion is 0.75mg/cm2. The optimal operational conditions are as follows: The temperature of electrolysis is 70℃, acidity 0.5mol/L, the concentration of benzene 26%, the concentration of vapor 10%, the flow rate of N2 80mL/min-240mL/min. The efficiency of the current can reach 35% under optimal operational conditions. Then, a conclusion can be drawn that gas diffusion electrodes can improve the rate of the coupled reaction effectively.

Influence of gas-diffusion-layer current collector on electrochemical performance of Ni(OH)_(2) nanostructures

We report the electrochemical performance of Ni(OH)_(2) on a gas diffusion layer(GDL).The Ni(OH)_(2) working electrode was successfully prepared via a simple method,and its electrochemical performance in 1 M NaOH electrolyte was investigated.The electrochemical results showed that the Ni(OH)_(2)/GDL provided the maximum specific capacitance value(418.11 F·g^(−1))at 1 A·g^(−1).Furthermore,the Ni(OH)_(2) electrode delivered a high specific energy of 17.25 Wh·kg^(−1) at a specific power of 272.5 W·kg^(−1) and retained about 81%of the capacitance after 1000 cycles of galvanostatic charge–discharge(GCD)measurements.The results of scanning electron microscopy(SEM)coupled with energy-dispersive X-ray spectroscopy(EDS)revealed the occurrence of sodium deposition after long-time cycling,which caused the reduction in the specific capacitance.This study results suggest that the light-weight GDL,which can help overcome the problem of the oxide layer on metal–foam substrates,is a promising current collector to be used with Ni-based electroactive materials for energy storage applications.

Fractal Analysis of Gas Diffusion Layer in PEM Fuel Cells

The aim of this study is to show how fractal analysis can be effectively used to characterize the texture of porous solids. The materials under study were carbon papers, the backing material of the gas diffusion layer （GDL） in Proton Exchange Membrane Fuel Cell （PEMFC）. The fractal dimensions were calculated by analyzing data from mercury porosimetry. The polytotrafluoroethylene （PTFE） treated carbon paper shows a significantly high fractal dimension value than pare sample, and the high fractal dimension signifies that the physical complexity of the pore surface is enhanced. The fractal dimension can be used as a valid parameter to monitor the textural evolution of the samples as the treatment progresses, as this behaves in a similar way to other textural parameters. The use of fractal analysis in conjunction with the results of classical characterization methods leads to a better understanding of textural modificatious in the processing of materials.

HIGH-PERFORMANCE GAS DIFFUSION POROUS STARVED OF ELECTROLYTE SOLUTION

The performance of gas diffusion porous electrode starved of electrolyte solution can be significantly increased by decreasing the thickness of uneven liquid film covering the catalyst agglomerates.

SELECTIVE SULFUR DIOXIDE DETERMINATION BY GAS DIFFUSION FLOW INJECTION ANALYSIS WITH CHEMILUMINESCENT DETECTION

Sulfur dioxide has been found to decrease the chemiluminescence of luminol-iodine system.A new determination method for sulfur dioxide in atmosphere is developed by applying this reaction to a flow injection gas diffusion separation system.This permits the determination of sulfur dioxide selectively and rapidly.

Advances and challenges of electrolyzers for large-scale CO_(2) electroreduction

CO_(2) electroreduction(CO_(2) ER)to high value-added chemicals is considered as a promising technology to achieve sustainable carbon neutralization.By virtue of the progressive research in recent years aiming at design and understanding of catalytic materials and electrolyte systems,the CO_(2) ER performance(such as current density,selectivity,stability,CO_(2) conversion,etc.)has been continually increased.Unfortunately,there has been relatively little attention paid to the large-scale CO 2 electrolyzers,which stand just as one obstacle,alongside series-parallel integration,challenging the practical application of this infant technology.In this review,the latest progress on the structures of low-temperature CO_(2) electrolyzers and scale-up studies was systematically overviewed.The influence of the CO_(2) electrolyzer configurations,such as the flow channel design,gas diffusion electrode(GDE)and ion exchange membrane(IEM),on the CO_(2) ER performance was further discussed.The review could provide inspiration for the design of large-scale CO_(2) electrolyzers so as to accelerate the industrial application of CO_(2) ER technology.

Enhancing ammonia production rates from electrochemical nitrogen reduction by engineering three-phase boundary with phosphorus-activated Cu catalysts

Electrochemical N_(2) reduction reaction(eNRR) over Cu-based catalysts suffers from an intrinsically low activity of Cu for activation of stable N_(2) molecules and the limited supply of N_(2) to the catalyst due to its low solubility in aqueous electrolytes.Herein,we propose phosphorus-activated Cu electrocatalysts to generate electron-deficient Cu sites on the catalyst surface to promote the adsorption of N_(2) molecules.The eNRR system is further modified using a gas diffusion electrode(GDE) coated with polytetrafluoroethylene(PTFE) to form an effective three-phase boundary of liquid water-gas N_(2)-solid catalyst to facilitate easy access of N_(2) to the catalytic sites.As a result,the new catalyst in the flow-type cell records a Faradaic efficiency of 13.15% and an NH_(3) production rate of 7.69 μg h^(-1) cm^(-2) at-0.2 V_(RHE),which represent 3.56 and 59.2 times increases from those obtained with a pristine Cu electrode in a typical electrolytic cell.This work represents a successful demonstration of dual modification strategies;catalyst modification and N_(2) supplying system engineering,and the results would provide a useful platform for further developments of electrocatalysts and reaction systems.

CO_(2)electrolysis:Advances and challenges in electrocatalyst engineering and reactor design

Electrochemical reduction of CO_(2)(CO_(2)RR)coupled with renewable electrical energy is an attractive way of upgrading CO_(2)to value-added chemicals and closing the carbon cycle.However,CO_(2)RR electrocatalysts still suffer from high overpotential,and the complex reaction pathways of CO_(2)RR often lead to mixed products.Early research focuses on tuning the binding of reaction intermediates on electrocatalysts,and recent efforts have revealed that the design of electrolysis reactors is equally important for efficient and selective CO_(2)RR.In this review,we present an overview of recent advances and challenges toward achieving high activity and high selectivity in CO_(2)RR at ambient conditions,with a particular focus on the progress of CO_(2)RR electrocatalyst engineering and reactor design.Our discussion begins with three types of electrocatalysts for CO_(2)RR(noble metalbased,none-noble metal-based,and metal-free electrocatalysts),and then we examine systems-level strategies toward engineering specific components of the electrolyzer,including gas diffusion electrodes,electrolytes,and polymer electrolyte membranes.We close with future perspectives on catalyst development,in-situ/operando characterization,and electrolyzer performance evaluation in CO_(2)RR studies.

Seasonal Change in CO2 Production Rate along Depth in a Grassland Field

Soil is a large terrestrial carbon pool so that the evaluation and prediction of soil respiration is important for understanding and managing carbon cycling between the pedosphere and the atmosphere. For better understanding about characteristics and mechanisms of soil respiration, this study monitored seasonal behaviors of soil gaseous CO2 concentration profile with relevant soil physical conditions in a meadow field, and numerically analyzed the monitored data sets to inversely determine time-series of depth distributions of CO2 production rate in the field by assuming optimum ranges of depth and moisture condition for aerobic respiration of soil fauna and flora. The results of the inverse analyses showed that the depth range of intense CO2 production resided in top soil layers during summer and moved down into subsoil layers in winter, implying that the depth range of main CO2 sources can change dynamically with seasons. The surface CO2 emission rates derived from the inverse analyses fell in the range typically found in the same kind of land use. The evaluated mean residence time of gaseous CO2 in the study field was around half a day. These findings suggested that the modelling assumptions about soil respiration in this study are effective to probe spatial and temporal behavior of respiratory activity in a soil layer, and it is still important to integrate facts about in-situ CO2 concentration profiles with soil physical parameters for quantitatively predicting possible behaviors of soil respiration in response to hypothetical changes in atmospheric and soil climates.

Temperature Sensitivity of Soil Respiration Probed by Numerical Analysis of Field-Observed Data Sets

Temperature sensitivity of soil respiration is essential to predict possible changes in terrestrial carbon budget on various scenarios about atmospheric and soil climates. Although it is often evaluated by using respiratory quotient “Q10”, Q10 values of soil respiration seem to vary depending on methods or scales of evaluation. Aiming at probing how Q10 values of soil respiration are evaluated differently for a field, this study used a model of soil respiration rate, and numerically evaluated soil respiration rates along depth by fitting the model to depth distributions of CO2 concentration measured in a field. And temperature sensitivity of soil respiration rate was evaluated by comparing the determined soil respiration rates with atmospheric and soil temperatures measured in the field. The results showed that the relation between surface CO2 emission rates and atmospheric temperatures was represented by lower Q10 values than that between soil respiration rates and soil temperatures, presumably because the top soil layers had acclimatized in more extent to the existing thermal regime than the underlying deeper layers. Thus, for evaluating effects of long-term rise in atmospheric temperature on soil respiration, it is necessary to precisely predict the long-term change in depth distribution of soil temperature as well as to quantify temperature sensitivity of soil respiration along depth. The evaluated sensitivity of surface CO2 emission rate to atmospheric temperature showed hysteresis, implying the needs for more knowledge about temperature sensitivity of soil respiration evaluated in both warming and cooling processes for better understandings and predictions about terrestrial carbon cycling.