The storage of hydrogen gas in underground lined rock caverns(LRCs)enables the implementation of the first fossil-free steelmaking process to meet the large demand for crude steel.Predicting the response of rock mass ...The storage of hydrogen gas in underground lined rock caverns(LRCs)enables the implementation of the first fossil-free steelmaking process to meet the large demand for crude steel.Predicting the response of rock mass is important to ensure that gas leakage due to rupture of the steel lining does not occur.Analytical and numerical models can be used to estimate the rock mass response to high internal pressure;however,the fitness of these models under different in situ stress conditions and cavern shapes has not been studied.In this paper,the suitability of analytical and numerical models to estimate the maximum cavern wall tangential strain under high internal pressure is studied.The analytical model is derived in detail and finite element(FE)models considering both two-dimensional(2D)and three-dimensional(3D)geometries are presented.These models are verified with field measurements from the LRC in Skallen,southwestern Sweden.The analytical model is inexpensive to implement and gives good results for isotropic in situ stress conditions and large cavern heights.For the case of anisotropic horizontal in situ stresses,as the conditions in Skallen,the 3D FE model is the best approach.展开更多
Ar-N_(2)-O_(2)ternary shielding gas is employed in dissimilar welding between high nitrogen steel and low alloy steel.The effect of O_(2)and N_(2)is investigated based on the systematical analysis of the metal transfe...Ar-N_(2)-O_(2)ternary shielding gas is employed in dissimilar welding between high nitrogen steel and low alloy steel.The effect of O_(2)and N_(2)is investigated based on the systematical analysis of the metal transfer,nitrogen escape phenomenon,weld appearance,nondestructive detection,nitrogen content distribution,microstructure and mechanical properties.There are two nitrogen sources of the nitrogen in the weld:high nitrogen base material and shielding gas.The effect of shielding gas is mainly reflected in these two aspects.The change of the droplet transfer mode affects the fusion ratio,N2in the shielding gas can increase nitrogen content and promote the nitrogen uniform distribution.The addition of 2%O_(2)to Ar matrix can change the metal transfer from globular transfer to spray transfer,high nitrogen base material is thereby dissolved more to the molten pool,making nitrogen content increase,ferrite decrease and the mechanical properties improve.When applying N2-containing shielding gas,arc stability becomes poor and short-circuiting transfer frequency increases due to the nitrogen escape from droplets and the molten pool.Performance of the joints is improved with N_(2)increasing,but internal gas pores are easier to appear because of the poor capacity of low alloy steel to dissolve nitrogen,The generation of pores will greatly reduce the impact resistance.4-8%N2content in shielding gas is recommended in this study considering the integrated properties of the dissimilar welded joint.展开更多
The storage of hydrogen gas in lined rock caverns(LRCs)may enable the implementation of the firstlarge-scale fossil-free steelmaking process in Sweden,but filling such storage causes joints in the rockmass to open,con...The storage of hydrogen gas in lined rock caverns(LRCs)may enable the implementation of the firstlarge-scale fossil-free steelmaking process in Sweden,but filling such storage causes joints in the rockmass to open,concentrating strains in the lining.The structural interaction between the LRC componentsmust be able to reduce the strain concentration in the sealing steel lining;however,this interaction iscomplex and difficult to predict with analytical methods.In this paper,the strain concentration in LRCsfrom the opening of rock joints is studied using finite element(FE)analyses,where the large-and small-scale deformation behaviors of the LRC are coupled.The model also includes concrete crack initiation anddevelopment with increasing gas pressure and rock joint width.The interaction between the jointed rockmass and the reinforced concrete,the sliding layer,and the steel lining is demonstrated.The results showthat the rock mass quality and the spacing of the rock joints have the greatest influence on the straindistributions in the steel lining.The largest effect of rock joints on the maximum strains in the steellining was observed for geological conditions of“good”quality rock masses.展开更多
Tight gas reservoirs with mobile water exhibit multi-phase flow and high stress sensitivity.Accurately analyzing the reservoir and well parameters using conventional single-phase rate transient analysis methods proves...Tight gas reservoirs with mobile water exhibit multi-phase flow and high stress sensitivity.Accurately analyzing the reservoir and well parameters using conventional single-phase rate transient analysis methods proves challenging.This study introduces novel rate transient analysis methods incorporating evaluation processes based on the conventional flowing material balance method and the Blasingame type-curve method to examine fractured gas wells producing water.By positing a gas-water two-phase equivalent homogenous phase that considers characteristics of mobile water,gas,and high stress sensitivity,the conventional single-phase rate transient analysis methods can be applied by integrating the phase's characteristics and defining the phase's normalized parameters and material balance pseudotime.The rate transient analysis methods based on the equivalent homogenous phase can be used to quantitatively assess the parameters of wells and gas reservoirs,such as original gas-in-place,fracture half-length,reservoir permeability,and well drainage radius.This facilitates the analysis of production dynamics of fractured wells and well-controlled areas,subsequently aiding in locating residual gas and guiding the configuration of well patterns.The specific evaluation processes are detailed.Additionally,a numerical simulation mechanism model was constructed to verify the reliability of the developed methods.The methods introduced have been successfully implemented in field water-producing gas wells within tight gas reservoirs containing mobile water.展开更多
Great quantities of light oil and gas are produced from deep buried hill reservoirs at depths of 5,641 m to 6,027 m and 190 ℃ to 201 ℃ in the Niudong-1 Well, representing the deepest and hottest commercial hydrocarb...Great quantities of light oil and gas are produced from deep buried hill reservoirs at depths of 5,641 m to 6,027 m and 190 ℃ to 201 ℃ in the Niudong-1 Well, representing the deepest and hottest commercial hydrocarbons discovered in the Bohai Bay Basin in eastern China. This discovery suggests favorable exploration prospects for the deep parts of the basin. However, the discovery raises questions regarding the genesis and accumulation of hydrocarbons in deep reservoirs. Based on the geochemical features of the hydrocarbons and characteristics of the source rocks as well as thermal simulation experiments of hydrocarbon generation, we conclude that the oil and gas were generated from the highly mature Sha-4 Member (Es4) source rocks instead of thermal cracking of crude oils in earlier accumulations. The source kitchen with abnormal pressures and karsted carbonate reservoirs control the formation of high-maturity hydrocarbon accumulations in the buried hills (i.e., Niudong-1) in conjunction with several structural-lithologic traps in the ES4 reservoirs since the deposition of the upper Minghuazhen Formation. This means the oil and gas exploration potential in the deep parts of the Baxian Depression is probably high.展开更多
A simple and feasible method for the production of high nitrogen austenitic stainless steels involves nitrogen gas alloying and adding nitrided ferroalloys under normal atmospheric conditions. Alloying by nitrogen gas...A simple and feasible method for the production of high nitrogen austenitic stainless steels involves nitrogen gas alloying and adding nitrided ferroalloys under normal atmospheric conditions. Alloying by nitrogen gas bubbling in Fe-Cr-Mn-Mo series alloys was carried out in MoSi2 resistance furnace and air induction furnace under normal atmospheric conditions. The results showed that nitrogen alloying could be accelerated by increasing nitrogen gas flow rate, prolonging residence time of bubbles, increasing gas/molten steel interfaces, and decreasing the sulphur and oxygen contents in molten steel. Nitrogen content of 0.69% in 18Crl8Mn was obtained using air induction furnace by bubbling of nitrogen gas from porous plug. In addition, the nickel-free, high nitrogen austenitic stainless steels with sound and compact macrostructure had been produced in the laboratory using vacuum induction furnace and electroslag remelting furnace under nitrogen atmosphere by the addition of nitrided alloy with the maximum nitrogen content of 0.81%. Pores were observed in the ingots obtained by melting and casting in vacuum induction furnace with the addition of nitrided ferroalloys and under nitrogen atmosphere. After electroslag remelting of the cast ingots, they were all sound and were free of pores. The yield of nitrogen increased with the decrease of melting rate in the ESR process. Due to electroslag remelting under nitrogen atmosphere and the consequential addition of aluminum as deoxidizer to the slag, the loss of manganese decreased obviously. There existed mainly irregular Al2O3 inclusions and MnS inclusions in ESR ingots, and the size of most of the inclusions was less than 5 um. After homogenization of the hot rolled plate at 1 150℃ × 1 h followed by water quenching, the microstructure consisted of homogeneous austenite.展开更多
In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N2 and H2 at water/graphite interface under ambient temperature and pressure. It finds that both N2 and H2 molecules ca...In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N2 and H2 at water/graphite interface under ambient temperature and pressure. It finds that both N2 and H2 molecules can accumulate at the interface and form one of two states according to the ratio of gas molecules number to square of graphite surface from our simulation results: gas films (pancake-like) for a larger ratio and nanobubbles for a smaller ratio. In addition, we discuss the stabilities of nanobubbles at different environment temperatures. Surprisingly, it is found that the density of both kinds of gas states can be greatly increased, even comparable with that of the liquid N2 and liquid H2. The present results are expected to be helpful for the understanding of the stable existence of gas film (pancake-like) and nanobubbles.展开更多
The traditional gas purification techniques such as wet gas desulfurization, with their advantages of large-scale implementation and maturity, have still been widely used. However, the main drawback of these technique...The traditional gas purification techniques such as wet gas desulfurization, with their advantages of large-scale implementation and maturity, have still been widely used. However, the main drawback of these techniques is the low transfer efficiency, which normally needs towers as tall as tens of meters to remove the pollutants. Therefore, new technologies which could enhance the mass transfer efficiency and are less energy-intensive are highly desirable. As a process intensification technology, high-gravity technology, which is carried out in a rotating packed bed(RPB), has recently demonstrated great potential for industrial applications due to its high mass transfer efficiency, energy-saving, and smaller volume. This consequently provides higher efficiency in toxic gas removal, and can significantly reduce the investment and operation costs. In this review, the mechanism,characteristics, recent developments, and the industry applications of high-gravity technologies in gas purifications, such as hydrogen sulfide, nitrogen oxide, carbon dioxide, sulfur dioxide, volatile organic compounds and nanoparticle removal are discussed, most of the demonstration projects and practical application examples in gas purification come from China. The perspective and prospective of this technology in gas purification and other fields are also briefly discussed.展开更多
As an important pilot target for shale gas exploration and development in China,the Longmaxi Formation shale in the Dianqianbei Area is characterized by high content of nitrogen,which severely increases exploration ri...As an important pilot target for shale gas exploration and development in China,the Longmaxi Formation shale in the Dianqianbei Area is characterized by high content of nitrogen,which severely increases exploration risk.Accordingly,this study explores the genesis of shale gas reservoir and the mechanism of nitrogen enrichment through investigating shale gas compositions,isotope features,and geochemical characteristics of associated gases.The high-nitrogen shale gas reservoir in the Longmaxi Formation is demonstrated to be a typical dry gas reservoir.Specifically,the alkane carbon isotope reversal is ascribed to the secondary cracking of crude oil and the Rayleigh fractionation induced by the basalt mantle plume.Such a thermogenic oil-type gas reservoir is composed of both oil-cracking gas and kerogen-cracking gas.The normally high nitrogen content(18.05%-40.92%) is attributed to organic matter cracking and thermal ammoniation in the high-maturity stage.Specifically,the high heat flow effect of the Emeishan mantle plume exacerbates the thermal cracking of organic matter in the Longmaxi Formation shale,accompanied by nitrogen generation.In comparison,the abnormally high nitrogen content(86.79%-98.54%) is ascribed to the communication between the atmosphere and deep underground fluids by deep faults,which results in hydrocarbon loss and nitrogen intrusion,acting as the key factor for deconstruction of the primary shale gas reservoir.Results of this study not only enrich research on genetic mechanism of high-maturity N_@ shale gas reservoirs,but also provide theoretical guidance for subsequent gas reservoir resource evaluation and well-drilling deployment in this area.展开更多
The high pressure pneumatic system has been applied to special industries. It may cause errors when we analyze high pressure pneumatics under ideal gas assumption. However, the real gas effect on the performances of h...The high pressure pneumatic system has been applied to special industries. It may cause errors when we analyze high pressure pneumatics under ideal gas assumption. However, the real gas effect on the performances of high pressure pneumatics is seldom investigated. In this paper, the real gas effects on air enthalpy and internal energy are estimated firstly to study the real gas effect on the energy conversion. Under ideal gas assumption, enthalpy and internal energy are solely related to air temperature. The estimation result indicates that the pressure enthalpy and pressure internal energy of real pneumatic air obviously decrease the values of enthalpy and internal energy for high pressure pneumatics, and the values of pressure enthalpy and pressure internal energy are close. Based on the relationship among pressure, enthalpy and internal energy, the real gas effects on charging and discharging processes of high pressure pneumatics are estimated, which indicates that the real gas effect accelerates the temperature and pressure decreasing rates during discharging process, and decelerates their increasing rates during charging process. According to the above analysis, and for the inconvenience in building the simulation model for real gas and the difficulty of measuring the detail thermal capacities of pneumatics, a method to compensate the real gas effect under ideal gas assumption is proposed by modulating the thermal capacity of the pneumatic container in simulation. The experiments of switching expansion reduction (SER) for high pressure pneumatics are used to verify this compensating method. SER includes the discharging process of supply tanks and the charging process of expansion tank. The simulated and experimental results of SER are highly consistent. The proposed compensation method provides a convenient way to obtain more realistic simulation results for high pressure pneumatics.展开更多
Based on reserve abundance,large gas fields in China can be divided into two types:type one of high abundance large gas fields,dominated by structural gas reservoirs; type two of low abundance large gas fields,domina...Based on reserve abundance,large gas fields in China can be divided into two types:type one of high abundance large gas fields,dominated by structural gas reservoirs; type two of low abundance large gas fields,dominated by stratigraphic and lithologic gas reservoirs.The formation of these two types of large gas fields is related to the highly efficient accumulation of natural gas.The accumulation of high abundance gas fields is dependent on the rapid maturation of the source kitchen and huge residual pressure difference between the gas source kitchen and reservoir,which is the strong driving force for natural gas migration to traps.Whereas the accumulation of low abundance gas fields is more complicated,involving both volume flow charge during the burial stage and diffusion flow charge during the uplift stage,which results in large area accumulation and preservation of natural gas in low porosity and low permeability reservoirs.This conclusion should assist gas exploration in different geological settings.展开更多
Ammonia detection possesses great potential in atmosphere environmental protection,agriculture,industry,and rapid medical diagnosis.However,it still remains a great challenge to balance the sensitivity,selectivity,wor...Ammonia detection possesses great potential in atmosphere environmental protection,agriculture,industry,and rapid medical diagnosis.However,it still remains a great challenge to balance the sensitivity,selectivity,working temperature,and response/recovery speed.In this work,Berlin green(BG)framework is demonstrated as a highly promising sensing material for ammonia detection by both density functional theory simulation and experimental gas sensing investigation.Vacancy in BG framework offers abundant active sites for ammonia absorption,and the absorbed ammonia transfers sufficient electron to BG,arousing remarkable enhancement of resistance.Pristine BG framework shows remarkable response to ammonia at 50–110°C with the highest response at 80°C,which is jointly influenced by ammonia’s absorption onto BG surface and insertion into BG lattice.The sensing performance of BG can hardly be achieved at room temperature due to its high resistance.Introduction of conductive Ti3CN MXene overcomes the high resistance of pure BG framework,and the simply prepared BG/Ti3CN mixture shows high selectivity to ammonia at room temperature with satisfying response/recovery speed.展开更多
The samples of InxGa(1-x)As/In(0.52)Al(0.48)As two-dimensional electron gas(2DEG)are grown by molecular beam epitaxy(MBE).In the sample preparation process,the In content and spacer layer thickness are chang...The samples of InxGa(1-x)As/In(0.52)Al(0.48)As two-dimensional electron gas(2DEG)are grown by molecular beam epitaxy(MBE).In the sample preparation process,the In content and spacer layer thickness are changed and two kinds of methods,i.e.,contrast body doping andδ-doping are used.The samples are analyzed by the Hall measurements at 300 Kand 77 K.The InxGa1-xAs/In0.52Al0.48As 2DEG channel structures with mobilities as high as 10289 cm^2/V·s(300 K)and42040 cm^2/V·s(77 K)are obtained,and the values of carrier concentration(Nc)are 3.465×10^12/cm^2 and 2.502×10^12/cm^2,respectively.The THz response rates of In P-based high electron mobility transistor(HEMT)structures with different gate lengths at 300 K and 77 K temperatures are calculated based on the shallow water wave instability theory.The results provide a reference for the research and preparation of In P-based HEMT THz detectors.展开更多
This paper used optical emission spectroscopy (OES) to study the gas phase in high power DC arc plasma jet chemical vapour deposition (CVD) during diamond films growth processes. The results show that all the depo...This paper used optical emission spectroscopy (OES) to study the gas phase in high power DC arc plasma jet chemical vapour deposition (CVD) during diamond films growth processes. The results show that all the deposition parameters (methane concentration, substrate temperature, gas flow rate and ratio of H2/Ar) could strongly influence the gas phase. C2 is found to be the most sensitive radical to deposition parameters among the radicals in gas phase. Spatially resolved OES implies that a relative high concentration of atomic H exists near the substrate surface, which is beneficial for diamond film growth. The relatively high concentrations of C2 and CH are correlated with high deposition rate of diamond. In our high deposition rate system, C2 is presumed to be the main growth radical, and CH is also believed to contribute the diamond deposition.展开更多
High nitrogen stainless steel with nitrogen content of 0.75%was welded by gas metal arc welding with Ar-N_(2)-O_(2)ternary shielding gas.The effect of the ternary shielding gas on the retention and improvement of nitr...High nitrogen stainless steel with nitrogen content of 0.75%was welded by gas metal arc welding with Ar-N_(2)-O_(2)ternary shielding gas.The effect of the ternary shielding gas on the retention and improvement of nitrogen content in the weld was identified.Surfacing test was conducted first to compare the ability of O_(2)and CO_(2)in prompting nitrogen dissolution.The nitrogen content of the surfacing metal with O_(2)is slightly higher than CO_(2).And then AreN_(2)-O_(2)shielding gas was applied to weld high nitrogen stainless steel.After using N_(2)-containing shielding gas,the nitrogen content of the weld was improved by 0.1 wt%.As N_(2)continued to increase,the increment of nitrogen content was not obvious,but the ferrite decreased from the top to the bottom.When the proportion of N_(2)reached 20%,a full austenitic weld was obtained and the tensile strength was improved by 8.7%.Combined with the results of surfacing test and welding test,it is concluded that the main effect of N_(2)is to inhibit the escape of nitrogen and suppress the nitrogen diffusion from bottom to the top in the molten pool.展开更多
Marine shale gas resources have great potential in the south of the Sichuan Basin in China.At present,the high-quality shale gas resources at depth of 2000–3500 m are under effective development,and strategic breakth...Marine shale gas resources have great potential in the south of the Sichuan Basin in China.At present,the high-quality shale gas resources at depth of 2000–3500 m are under effective development,and strategic breakthroughs have been made in deeper shale gas resources at depth of 3500–4500 m.To promote the effective production of shale gas in this area,this study examines key factors controlling high shale gas production and presents the next exploration direction in the southern Sichuan Basin based on summarizing the geological understandings from the Lower Silurian Longmaxi Formation shale gas exploration combined with the latest results of geological evaluation.The results show that:(1)The relative sea depth in marine shelf sedimentary environment controls the development and distribution of reservoirs.In the relatively deep water area in deep-water shelf,grade-I reservoirs with a larger continuous thickness develop.The relative depth of sea in marine shelf sedimentary environment can be determined by redox conditions.The research shows that the uranium to thorium mass ratio greater than 1.25 indicates relatively deep water in anoxic reduction environment,and the uranium to thorium mass ratio of 0.75–1.25 indicates semi-deep water in weak reduction and weak oxidation environment,and the uranium to thorium mass ratio less than 0.75 indicates relatively shallow water in strong oxidation environment.(2)The propped fractures in shale reservoirs subject to fracturing treatment are generally 10–12 m high,if grade-I reservoirs are more than 10 m in continuous thickness,then all the propped section would be high-quality reserves;in this case,the longer the continuous thickness of penetrated grade-I reservoirs,the higher the production will be.(3)The shale gas reservoirs at 3500–4500 m depth in southern Sichuan are characterized by high formation pressure,high pressure coefficient,well preserved pores,good pore structure and high proportion of free gas,making them the most favorable new field for shale gas exploration;and the pressure coefficient greater than 1.2 is a necessary condition for shale gas wells to obtain high production.(4)High production wells in the deep shale gas reservoirs are those in areas where Long11-Long13 sub-beds are more than 10 m thick,with 1500 m long horizontal section,grade-I reservoirs penetration rate of over 90%,and fractured by dense cutting+high intensity sand injection+large displacement+large liquid volume.(5)The relatively deep-water area in the deep-water shelf and the area at depth of 3500–4500 m well overlap in the southern Sichuan,and the overlapping area is the most favorable shale gas exploration and development zones in the southern Sichuan in the future.With advancement in theory and technology,annual shale gas production in the southern Sichuan is expected to reach 450×108 m3.展开更多
Current researches show that mechanical deformation of seal ring face makes fluid film clearance decrease at high pressure side, thus a divergent clearance is formed and face wear occurs more seriously at the high pre...Current researches show that mechanical deformation of seal ring face makes fluid film clearance decrease at high pressure side, thus a divergent clearance is formed and face wear occurs more seriously at the high pressure side than that on the low pressure side. However, there is still lack of published experimental works enough to prove the theoretical results. In this paper, a spiral groove dry gas seal at high pressures is experimentally investigated so as to prove the face wear happened at the high pressure side of seal faces due to the face mechanical deformation, and the wear behavior affected by seal ring structure is also studied. The experimental results show that face wear would occur at the high pressure side of seal faces due to the deformation, thus the leakage and face temperature increase, which all satisfies the theoretical predictions. When sealed pressure is not less than 5 MPa, the pressure can provide enough opening force to separate the seal faces. The seal ring sizes have obvious influence on face wear. Face wear, leakage and face temperature of a dry gas seal with the smaller cross sectional area of seal ring are less than that of a dry gas seal with bigger one, and the difference of leakage rate between these two sizes of seal face width is in the range of 24%–25%. Compared with the effect of seal ring sizes, the effect of secondary O-ring seal position on face deformation and face wear is less. The differences between these two types of dry gas seals with different secondary O-ring seal positions are less than 5.9% when the rotational speed varies from 0 to 600 r/min. By linking face wear and sealing performance changes to the shift in mechanical deformation of seal ring, this research presents an important experimental method to study face deformation of a dry gas seal at high pressures.展开更多
20 mm thick plates of 2519-T87 high strength aluminum alloy have been welded.The effects of the compositions of filler wires,the heat input and the compositions of shielding gas on the mechanical properties and micros...20 mm thick plates of 2519-T87 high strength aluminum alloy have been welded.The effects of the compositions of filler wires,the heat input and the compositions of shielding gas on the mechanical properties and microstructure of the welded joint have been investigated.The results indicate that finer microstructure,better mechanical properties and higher value of hardness of HAZ can be obtained by using lower heat input.The use of Ar/He mixed shielding gas has several advantages over pure Ar shielding gas.With the increase of the proportion of He in the mixed shielding gas, the grain size of the weld metal as well as porosity susceptibility decreases.When the volume ratio of He to Ar reaches 7:3,the porosity and the grain size of weld metal reach the minimum,and the porosity can be further reduced by filling some CO2.展开更多
The J-V characteristics of AltGa1 tN/GaN high electron mobility transistors(HEMTs) are investigated and simulated using the self-consistent solution of the Schro dinger and Poisson equations for a two-dimensional el...The J-V characteristics of AltGa1 tN/GaN high electron mobility transistors(HEMTs) are investigated and simulated using the self-consistent solution of the Schro dinger and Poisson equations for a two-dimensional electron gas(2DEG) in a triangular potential well with the Al mole fraction t = 0.3 as an example.Using a simple analytical model,the electronic drift velocity in a 2DEG channel is obtained.It is found that the current density through the 2DEG channel is on the order of 10^13 A/m^2 within a very narrow region(about 5 nm).For a current density of 7 × 10^13 A/m62 passing through the 2DEG channel with a 2DEG density of above 1.2 × 10^17 m^-2 under a drain voltage Vds = 1.5 V at room temperature,the barrier thickness Lb should be more than 10 nm and the gate bias must be higher than 2 V.展开更多
This work applied molecular dynamics(MD)simulation to calculate densities of natural gas mixtures at extremely high pressure(>138 MPa)and high temperature(>200℃)conditions(x HPHT)to bridge the knowledge and tec...This work applied molecular dynamics(MD)simulation to calculate densities of natural gas mixtures at extremely high pressure(>138 MPa)and high temperature(>200℃)conditions(x HPHT)to bridge the knowledge and technical gaps between experiments and classical theories.The experimental data are scarce at these conditions which are also out of assumptions for classical predictive correlations,such as the Dranchuk&Abou-Kassem(DAK)equation of state(EOS).Force fields of natural gas components were carefully chosen from literatures and the simulation results are validated with experimental data.The largest relative error is 2.67%for pure hydrocarbons,2.99%for C1/C3 mixture,7.85%for C1/C4 mixture,and 8.47%for pure H2S.These satisfactory predictions demonstrate that the MD simulation approach is reliable to predict natural-and acid-gases thermodynamic properties.The validated model is further used to generate data for the study of the EOS with pressure up to 276 MPa and temperature up to 573 K.Our results also reveal that the Dranchuk&Abou-Kassem(DAK)EOS is capable of predicting natural gas compressibility to a satisfactory accuracy at x HPHT conditions,which extends the confidence range of the DAK EOS.展开更多
基金This work has been conducted as part of the HYBRIT research project RP-1.This research was financially supported by the Swedish Energy Agency(Grant No.42684e2).
文摘The storage of hydrogen gas in underground lined rock caverns(LRCs)enables the implementation of the first fossil-free steelmaking process to meet the large demand for crude steel.Predicting the response of rock mass is important to ensure that gas leakage due to rupture of the steel lining does not occur.Analytical and numerical models can be used to estimate the rock mass response to high internal pressure;however,the fitness of these models under different in situ stress conditions and cavern shapes has not been studied.In this paper,the suitability of analytical and numerical models to estimate the maximum cavern wall tangential strain under high internal pressure is studied.The analytical model is derived in detail and finite element(FE)models considering both two-dimensional(2D)and three-dimensional(3D)geometries are presented.These models are verified with field measurements from the LRC in Skallen,southwestern Sweden.The analytical model is inexpensive to implement and gives good results for isotropic in situ stress conditions and large cavern heights.For the case of anisotropic horizontal in situ stresses,as the conditions in Skallen,the 3D FE model is the best approach.
文摘Ar-N_(2)-O_(2)ternary shielding gas is employed in dissimilar welding between high nitrogen steel and low alloy steel.The effect of O_(2)and N_(2)is investigated based on the systematical analysis of the metal transfer,nitrogen escape phenomenon,weld appearance,nondestructive detection,nitrogen content distribution,microstructure and mechanical properties.There are two nitrogen sources of the nitrogen in the weld:high nitrogen base material and shielding gas.The effect of shielding gas is mainly reflected in these two aspects.The change of the droplet transfer mode affects the fusion ratio,N2in the shielding gas can increase nitrogen content and promote the nitrogen uniform distribution.The addition of 2%O_(2)to Ar matrix can change the metal transfer from globular transfer to spray transfer,high nitrogen base material is thereby dissolved more to the molten pool,making nitrogen content increase,ferrite decrease and the mechanical properties improve.When applying N2-containing shielding gas,arc stability becomes poor and short-circuiting transfer frequency increases due to the nitrogen escape from droplets and the molten pool.Performance of the joints is improved with N_(2)increasing,but internal gas pores are easier to appear because of the poor capacity of low alloy steel to dissolve nitrogen,The generation of pores will greatly reduce the impact resistance.4-8%N2content in shielding gas is recommended in this study considering the integrated properties of the dissimilar welded joint.
基金supported by the Swedish Energy Agency(Grant Nos.42684-2,P2022-00209).
文摘The storage of hydrogen gas in lined rock caverns(LRCs)may enable the implementation of the firstlarge-scale fossil-free steelmaking process in Sweden,but filling such storage causes joints in the rockmass to open,concentrating strains in the lining.The structural interaction between the LRC componentsmust be able to reduce the strain concentration in the sealing steel lining;however,this interaction iscomplex and difficult to predict with analytical methods.In this paper,the strain concentration in LRCsfrom the opening of rock joints is studied using finite element(FE)analyses,where the large-and small-scale deformation behaviors of the LRC are coupled.The model also includes concrete crack initiation anddevelopment with increasing gas pressure and rock joint width.The interaction between the jointed rockmass and the reinforced concrete,the sliding layer,and the steel lining is demonstrated.The results showthat the rock mass quality and the spacing of the rock joints have the greatest influence on the straindistributions in the steel lining.The largest effect of rock joints on the maximum strains in the steellining was observed for geological conditions of“good”quality rock masses.
文摘Tight gas reservoirs with mobile water exhibit multi-phase flow and high stress sensitivity.Accurately analyzing the reservoir and well parameters using conventional single-phase rate transient analysis methods proves challenging.This study introduces novel rate transient analysis methods incorporating evaluation processes based on the conventional flowing material balance method and the Blasingame type-curve method to examine fractured gas wells producing water.By positing a gas-water two-phase equivalent homogenous phase that considers characteristics of mobile water,gas,and high stress sensitivity,the conventional single-phase rate transient analysis methods can be applied by integrating the phase's characteristics and defining the phase's normalized parameters and material balance pseudotime.The rate transient analysis methods based on the equivalent homogenous phase can be used to quantitatively assess the parameters of wells and gas reservoirs,such as original gas-in-place,fracture half-length,reservoir permeability,and well drainage radius.This facilitates the analysis of production dynamics of fractured wells and well-controlled areas,subsequently aiding in locating residual gas and guiding the configuration of well patterns.The specific evaluation processes are detailed.Additionally,a numerical simulation mechanism model was constructed to verify the reliability of the developed methods.The methods introduced have been successfully implemented in field water-producing gas wells within tight gas reservoirs containing mobile water.
文摘Great quantities of light oil and gas are produced from deep buried hill reservoirs at depths of 5,641 m to 6,027 m and 190 ℃ to 201 ℃ in the Niudong-1 Well, representing the deepest and hottest commercial hydrocarbons discovered in the Bohai Bay Basin in eastern China. This discovery suggests favorable exploration prospects for the deep parts of the basin. However, the discovery raises questions regarding the genesis and accumulation of hydrocarbons in deep reservoirs. Based on the geochemical features of the hydrocarbons and characteristics of the source rocks as well as thermal simulation experiments of hydrocarbon generation, we conclude that the oil and gas were generated from the highly mature Sha-4 Member (Es4) source rocks instead of thermal cracking of crude oils in earlier accumulations. The source kitchen with abnormal pressures and karsted carbonate reservoirs control the formation of high-maturity hydrocarbon accumulations in the buried hills (i.e., Niudong-1) in conjunction with several structural-lithologic traps in the ES4 reservoirs since the deposition of the upper Minghuazhen Formation. This means the oil and gas exploration potential in the deep parts of the Baxian Depression is probably high.
基金Item Sponsored by National Natural Science Foundation of China(50534010)
文摘A simple and feasible method for the production of high nitrogen austenitic stainless steels involves nitrogen gas alloying and adding nitrided ferroalloys under normal atmospheric conditions. Alloying by nitrogen gas bubbling in Fe-Cr-Mn-Mo series alloys was carried out in MoSi2 resistance furnace and air induction furnace under normal atmospheric conditions. The results showed that nitrogen alloying could be accelerated by increasing nitrogen gas flow rate, prolonging residence time of bubbles, increasing gas/molten steel interfaces, and decreasing the sulphur and oxygen contents in molten steel. Nitrogen content of 0.69% in 18Crl8Mn was obtained using air induction furnace by bubbling of nitrogen gas from porous plug. In addition, the nickel-free, high nitrogen austenitic stainless steels with sound and compact macrostructure had been produced in the laboratory using vacuum induction furnace and electroslag remelting furnace under nitrogen atmosphere by the addition of nitrided alloy with the maximum nitrogen content of 0.81%. Pores were observed in the ingots obtained by melting and casting in vacuum induction furnace with the addition of nitrided ferroalloys and under nitrogen atmosphere. After electroslag remelting of the cast ingots, they were all sound and were free of pores. The yield of nitrogen increased with the decrease of melting rate in the ESR process. Due to electroslag remelting under nitrogen atmosphere and the consequential addition of aluminum as deoxidizer to the slag, the loss of manganese decreased obviously. There existed mainly irregular Al2O3 inclusions and MnS inclusions in ESR ingots, and the size of most of the inclusions was less than 5 um. After homogenization of the hot rolled plate at 1 150℃ × 1 h followed by water quenching, the microstructure consisted of homogeneous austenite.
基金supported in part by National Natural Science Foundation of China (Grant Nos 10474109 and 10674146)supported is part by the Shanghai Supercomputer Center of China
文摘In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N2 and H2 at water/graphite interface under ambient temperature and pressure. It finds that both N2 and H2 molecules can accumulate at the interface and form one of two states according to the ratio of gas molecules number to square of graphite surface from our simulation results: gas films (pancake-like) for a larger ratio and nanobubbles for a smaller ratio. In addition, we discuss the stabilities of nanobubbles at different environment temperatures. Surprisingly, it is found that the density of both kinds of gas states can be greatly increased, even comparable with that of the liquid N2 and liquid H2. The present results are expected to be helpful for the understanding of the stable existence of gas film (pancake-like) and nanobubbles.
基金Supported by the National Natural Science Foundation of China(U1610106)Shanxi Excellent Talent Science and Technology Innovation Project(201705D211011)+1 种基金Specialized Research Fund for Sanjin Scholars Program of Shanxi Province(201707)North University of China Fund for Distinguished Young Scholars(201701)
文摘The traditional gas purification techniques such as wet gas desulfurization, with their advantages of large-scale implementation and maturity, have still been widely used. However, the main drawback of these techniques is the low transfer efficiency, which normally needs towers as tall as tens of meters to remove the pollutants. Therefore, new technologies which could enhance the mass transfer efficiency and are less energy-intensive are highly desirable. As a process intensification technology, high-gravity technology, which is carried out in a rotating packed bed(RPB), has recently demonstrated great potential for industrial applications due to its high mass transfer efficiency, energy-saving, and smaller volume. This consequently provides higher efficiency in toxic gas removal, and can significantly reduce the investment and operation costs. In this review, the mechanism,characteristics, recent developments, and the industry applications of high-gravity technologies in gas purifications, such as hydrogen sulfide, nitrogen oxide, carbon dioxide, sulfur dioxide, volatile organic compounds and nanoparticle removal are discussed, most of the demonstration projects and practical application examples in gas purification come from China. The perspective and prospective of this technology in gas purification and other fields are also briefly discussed.
基金financially supported by the National Science and Technology Major Project (2017ZX05063002–009)National Natural Science Foundation of China (41772150)+1 种基金Sichuan Province’s Key Project of Research and Development (18ZDYF0884)Qian Ke He Platform Talents [2017]5789-16。
文摘As an important pilot target for shale gas exploration and development in China,the Longmaxi Formation shale in the Dianqianbei Area is characterized by high content of nitrogen,which severely increases exploration risk.Accordingly,this study explores the genesis of shale gas reservoir and the mechanism of nitrogen enrichment through investigating shale gas compositions,isotope features,and geochemical characteristics of associated gases.The high-nitrogen shale gas reservoir in the Longmaxi Formation is demonstrated to be a typical dry gas reservoir.Specifically,the alkane carbon isotope reversal is ascribed to the secondary cracking of crude oil and the Rayleigh fractionation induced by the basalt mantle plume.Such a thermogenic oil-type gas reservoir is composed of both oil-cracking gas and kerogen-cracking gas.The normally high nitrogen content(18.05%-40.92%) is attributed to organic matter cracking and thermal ammoniation in the high-maturity stage.Specifically,the high heat flow effect of the Emeishan mantle plume exacerbates the thermal cracking of organic matter in the Longmaxi Formation shale,accompanied by nitrogen generation.In comparison,the abnormally high nitrogen content(86.79%-98.54%) is ascribed to the communication between the atmosphere and deep underground fluids by deep faults,which results in hydrocarbon loss and nitrogen intrusion,acting as the key factor for deconstruction of the primary shale gas reservoir.Results of this study not only enrich research on genetic mechanism of high-maturity N_@ shale gas reservoirs,but also provide theoretical guidance for subsequent gas reservoir resource evaluation and well-drilling deployment in this area.
基金supported by National Natural Science Foundation of China (Grant No. 50575202)
文摘The high pressure pneumatic system has been applied to special industries. It may cause errors when we analyze high pressure pneumatics under ideal gas assumption. However, the real gas effect on the performances of high pressure pneumatics is seldom investigated. In this paper, the real gas effects on air enthalpy and internal energy are estimated firstly to study the real gas effect on the energy conversion. Under ideal gas assumption, enthalpy and internal energy are solely related to air temperature. The estimation result indicates that the pressure enthalpy and pressure internal energy of real pneumatic air obviously decrease the values of enthalpy and internal energy for high pressure pneumatics, and the values of pressure enthalpy and pressure internal energy are close. Based on the relationship among pressure, enthalpy and internal energy, the real gas effects on charging and discharging processes of high pressure pneumatics are estimated, which indicates that the real gas effect accelerates the temperature and pressure decreasing rates during discharging process, and decelerates their increasing rates during charging process. According to the above analysis, and for the inconvenience in building the simulation model for real gas and the difficulty of measuring the detail thermal capacities of pneumatics, a method to compensate the real gas effect under ideal gas assumption is proposed by modulating the thermal capacity of the pneumatic container in simulation. The experiments of switching expansion reduction (SER) for high pressure pneumatics are used to verify this compensating method. SER includes the discharging process of supply tanks and the charging process of expansion tank. The simulated and experimental results of SER are highly consistent. The proposed compensation method provides a convenient way to obtain more realistic simulation results for high pressure pneumatics.
基金sponsored by the National Key Basic Research Program of China(2007CB2095)
文摘Based on reserve abundance,large gas fields in China can be divided into two types:type one of high abundance large gas fields,dominated by structural gas reservoirs; type two of low abundance large gas fields,dominated by stratigraphic and lithologic gas reservoirs.The formation of these two types of large gas fields is related to the highly efficient accumulation of natural gas.The accumulation of high abundance gas fields is dependent on the rapid maturation of the source kitchen and huge residual pressure difference between the gas source kitchen and reservoir,which is the strong driving force for natural gas migration to traps.Whereas the accumulation of low abundance gas fields is more complicated,involving both volume flow charge during the burial stage and diffusion flow charge during the uplift stage,which results in large area accumulation and preservation of natural gas in low porosity and low permeability reservoirs.This conclusion should assist gas exploration in different geological settings.
基金The research was supported by the National Natural Science Foundation of China(Grant Nos.61435010,61675135,and 62005177)the National Natural Science Foundation for Young Scientists of China(Grant No.61905161)the Science and Technology Innovation Commission of Shenzhen(JCYJ20190808142415003).Authors also acknowledge the support from Instrumental Analysis Center of Shenzhen University(Xili Campus).
文摘Ammonia detection possesses great potential in atmosphere environmental protection,agriculture,industry,and rapid medical diagnosis.However,it still remains a great challenge to balance the sensitivity,selectivity,working temperature,and response/recovery speed.In this work,Berlin green(BG)framework is demonstrated as a highly promising sensing material for ammonia detection by both density functional theory simulation and experimental gas sensing investigation.Vacancy in BG framework offers abundant active sites for ammonia absorption,and the absorbed ammonia transfers sufficient electron to BG,arousing remarkable enhancement of resistance.Pristine BG framework shows remarkable response to ammonia at 50–110°C with the highest response at 80°C,which is jointly influenced by ammonia’s absorption onto BG surface and insertion into BG lattice.The sensing performance of BG can hardly be achieved at room temperature due to its high resistance.Introduction of conductive Ti3CN MXene overcomes the high resistance of pure BG framework,and the simply prepared BG/Ti3CN mixture shows high selectivity to ammonia at room temperature with satisfying response/recovery speed.
基金Project supported by the Foundation for Scientific Instrument and Equipment Development,Chinese Academy of Sciences(Grant No.YJKYYQ20170032)the National Natural Science Foundation of China(Grant No.61435012)
文摘The samples of InxGa(1-x)As/In(0.52)Al(0.48)As two-dimensional electron gas(2DEG)are grown by molecular beam epitaxy(MBE).In the sample preparation process,the In content and spacer layer thickness are changed and two kinds of methods,i.e.,contrast body doping andδ-doping are used.The samples are analyzed by the Hall measurements at 300 Kand 77 K.The InxGa1-xAs/In0.52Al0.48As 2DEG channel structures with mobilities as high as 10289 cm^2/V·s(300 K)and42040 cm^2/V·s(77 K)are obtained,and the values of carrier concentration(Nc)are 3.465×10^12/cm^2 and 2.502×10^12/cm^2,respectively.The THz response rates of In P-based high electron mobility transistor(HEMT)structures with different gate lengths at 300 K and 77 K temperatures are calculated based on the shallow water wave instability theory.The results provide a reference for the research and preparation of In P-based HEMT THz detectors.
文摘This paper used optical emission spectroscopy (OES) to study the gas phase in high power DC arc plasma jet chemical vapour deposition (CVD) during diamond films growth processes. The results show that all the deposition parameters (methane concentration, substrate temperature, gas flow rate and ratio of H2/Ar) could strongly influence the gas phase. C2 is found to be the most sensitive radical to deposition parameters among the radicals in gas phase. Spatially resolved OES implies that a relative high concentration of atomic H exists near the substrate surface, which is beneficial for diamond film growth. The relatively high concentrations of C2 and CH are correlated with high deposition rate of diamond. In our high deposition rate system, C2 is presumed to be the main growth radical, and CH is also believed to contribute the diamond deposition.
文摘High nitrogen stainless steel with nitrogen content of 0.75%was welded by gas metal arc welding with Ar-N_(2)-O_(2)ternary shielding gas.The effect of the ternary shielding gas on the retention and improvement of nitrogen content in the weld was identified.Surfacing test was conducted first to compare the ability of O_(2)and CO_(2)in prompting nitrogen dissolution.The nitrogen content of the surfacing metal with O_(2)is slightly higher than CO_(2).And then AreN_(2)-O_(2)shielding gas was applied to weld high nitrogen stainless steel.After using N_(2)-containing shielding gas,the nitrogen content of the weld was improved by 0.1 wt%.As N_(2)continued to increase,the increment of nitrogen content was not obvious,but the ferrite decreased from the top to the bottom.When the proportion of N_(2)reached 20%,a full austenitic weld was obtained and the tensile strength was improved by 8.7%.Combined with the results of surfacing test and welding test,it is concluded that the main effect of N_(2)is to inhibit the escape of nitrogen and suppress the nitrogen diffusion from bottom to the top in the molten pool.
基金Supported by the China National Science and Technology Major Project(2016ZX05062)the PetroChina Science and Technology Major Project(2016E-0611)
文摘Marine shale gas resources have great potential in the south of the Sichuan Basin in China.At present,the high-quality shale gas resources at depth of 2000–3500 m are under effective development,and strategic breakthroughs have been made in deeper shale gas resources at depth of 3500–4500 m.To promote the effective production of shale gas in this area,this study examines key factors controlling high shale gas production and presents the next exploration direction in the southern Sichuan Basin based on summarizing the geological understandings from the Lower Silurian Longmaxi Formation shale gas exploration combined with the latest results of geological evaluation.The results show that:(1)The relative sea depth in marine shelf sedimentary environment controls the development and distribution of reservoirs.In the relatively deep water area in deep-water shelf,grade-I reservoirs with a larger continuous thickness develop.The relative depth of sea in marine shelf sedimentary environment can be determined by redox conditions.The research shows that the uranium to thorium mass ratio greater than 1.25 indicates relatively deep water in anoxic reduction environment,and the uranium to thorium mass ratio of 0.75–1.25 indicates semi-deep water in weak reduction and weak oxidation environment,and the uranium to thorium mass ratio less than 0.75 indicates relatively shallow water in strong oxidation environment.(2)The propped fractures in shale reservoirs subject to fracturing treatment are generally 10–12 m high,if grade-I reservoirs are more than 10 m in continuous thickness,then all the propped section would be high-quality reserves;in this case,the longer the continuous thickness of penetrated grade-I reservoirs,the higher the production will be.(3)The shale gas reservoirs at 3500–4500 m depth in southern Sichuan are characterized by high formation pressure,high pressure coefficient,well preserved pores,good pore structure and high proportion of free gas,making them the most favorable new field for shale gas exploration;and the pressure coefficient greater than 1.2 is a necessary condition for shale gas wells to obtain high production.(4)High production wells in the deep shale gas reservoirs are those in areas where Long11-Long13 sub-beds are more than 10 m thick,with 1500 m long horizontal section,grade-I reservoirs penetration rate of over 90%,and fractured by dense cutting+high intensity sand injection+large displacement+large liquid volume.(5)The relatively deep-water area in the deep-water shelf and the area at depth of 3500–4500 m well overlap in the southern Sichuan,and the overlapping area is the most favorable shale gas exploration and development zones in the southern Sichuan in the future.With advancement in theory and technology,annual shale gas production in the southern Sichuan is expected to reach 450×108 m3.
基金Supported by National Natural Science Foundation of China (Grant Nos.51175740,51275473)Ph D Programs Foundation of Ministry of Education of China (Grant No.20103317110002)National Key Basic Research Program of China (973 Program,Grant No.2014CB046404)
文摘Current researches show that mechanical deformation of seal ring face makes fluid film clearance decrease at high pressure side, thus a divergent clearance is formed and face wear occurs more seriously at the high pressure side than that on the low pressure side. However, there is still lack of published experimental works enough to prove the theoretical results. In this paper, a spiral groove dry gas seal at high pressures is experimentally investigated so as to prove the face wear happened at the high pressure side of seal faces due to the face mechanical deformation, and the wear behavior affected by seal ring structure is also studied. The experimental results show that face wear would occur at the high pressure side of seal faces due to the deformation, thus the leakage and face temperature increase, which all satisfies the theoretical predictions. When sealed pressure is not less than 5 MPa, the pressure can provide enough opening force to separate the seal faces. The seal ring sizes have obvious influence on face wear. Face wear, leakage and face temperature of a dry gas seal with the smaller cross sectional area of seal ring are less than that of a dry gas seal with bigger one, and the difference of leakage rate between these two sizes of seal face width is in the range of 24%–25%. Compared with the effect of seal ring sizes, the effect of secondary O-ring seal position on face deformation and face wear is less. The differences between these two types of dry gas seals with different secondary O-ring seal positions are less than 5.9% when the rotational speed varies from 0 to 600 r/min. By linking face wear and sealing performance changes to the shift in mechanical deformation of seal ring, this research presents an important experimental method to study face deformation of a dry gas seal at high pressures.
基金This project is supported by National Hi-tech Research and Development Program of China(863 Program,No.2002AA305402).
文摘20 mm thick plates of 2519-T87 high strength aluminum alloy have been welded.The effects of the compositions of filler wires,the heat input and the compositions of shielding gas on the mechanical properties and microstructure of the welded joint have been investigated.The results indicate that finer microstructure,better mechanical properties and higher value of hardness of HAZ can be obtained by using lower heat input.The use of Ar/He mixed shielding gas has several advantages over pure Ar shielding gas.With the increase of the proportion of He in the mixed shielding gas, the grain size of the weld metal as well as porosity susceptibility decreases.When the volume ratio of He to Ar reaches 7:3,the porosity and the grain size of weld metal reach the minimum,and the porosity can be further reduced by filling some CO2.
基金Project supported by the National Natural Science Foundation of China (Grant No. 60976070)the Excellent Science and Technology Innovation Program from Beijing Jiaotong University,China
文摘The J-V characteristics of AltGa1 tN/GaN high electron mobility transistors(HEMTs) are investigated and simulated using the self-consistent solution of the Schro dinger and Poisson equations for a two-dimensional electron gas(2DEG) in a triangular potential well with the Al mole fraction t = 0.3 as an example.Using a simple analytical model,the electronic drift velocity in a 2DEG channel is obtained.It is found that the current density through the 2DEG channel is on the order of 10^13 A/m^2 within a very narrow region(about 5 nm).For a current density of 7 × 10^13 A/m62 passing through the 2DEG channel with a 2DEG density of above 1.2 × 10^17 m^-2 under a drain voltage Vds = 1.5 V at room temperature,the barrier thickness Lb should be more than 10 nm and the gate bias must be higher than 2 V.
基金partial financial support from Ballard Petroleum Holdings and Yangtze Universitythe Schooner Supercomputing from the University of Oklahomathe startup support from the University of Oklahoma。
文摘This work applied molecular dynamics(MD)simulation to calculate densities of natural gas mixtures at extremely high pressure(>138 MPa)and high temperature(>200℃)conditions(x HPHT)to bridge the knowledge and technical gaps between experiments and classical theories.The experimental data are scarce at these conditions which are also out of assumptions for classical predictive correlations,such as the Dranchuk&Abou-Kassem(DAK)equation of state(EOS).Force fields of natural gas components were carefully chosen from literatures and the simulation results are validated with experimental data.The largest relative error is 2.67%for pure hydrocarbons,2.99%for C1/C3 mixture,7.85%for C1/C4 mixture,and 8.47%for pure H2S.These satisfactory predictions demonstrate that the MD simulation approach is reliable to predict natural-and acid-gases thermodynamic properties.The validated model is further used to generate data for the study of the EOS with pressure up to 276 MPa and temperature up to 573 K.Our results also reveal that the Dranchuk&Abou-Kassem(DAK)EOS is capable of predicting natural gas compressibility to a satisfactory accuracy at x HPHT conditions,which extends the confidence range of the DAK EOS.