An equation of state(EOS)was obtained that accurately describes the thermodynamics of the system H_(2)O–CO_(2) at temperatures of 50–350°C and pressures of 0.2–3.5 kbar.The equation is based on experimental da...An equation of state(EOS)was obtained that accurately describes the thermodynamics of the system H_(2)O–CO_(2) at temperatures of 50–350°C and pressures of 0.2–3.5 kbar.The equation is based on experimental data on the compositions of the coexisting liquid and gas phases and the Van Laar model,within which the values of the Van Laar parameters A12 and A21 were found for each experimental P-T point.For the resulting sets A12(P,T),A21(P,T),approximation formulas describing the dependences of these quantities on temperature and pressure were found and the parameters contained in the formulas were fitted.This two-stage approach made it possible to obtain an adequate thermodynamic description of the system,which allows,in addition to determining the phase state of the system(homogeneous or heterogeneous),to calculate the excess free energy of mixing of H_(2)O and CO_(2),the activities of H_(2)O and CO_(2),and other thermodynamic characteristics of the system.The possibility of such calculations creates the basis for using the obtained EOS in thermodynamic models of more complicated fluid systems in P-T conditions of the middle and upper crust.These fluids play an important role in many geological processes including the transport of ore matter and forming hydrothermal ore deposits,in particular,the most of the world’s gold deposits.The knowledge of thermodynamics of these fluids is important in the technology of drilling oil and gas wells.In particular,this concerns the prevention of precipitation of solid salts in the well.展开更多
This study systematically investigates the mechanical response characteristics of Mo-10Cu pseudo-alloy under various conditions,including temperatures ranging from 298 K to 550 K,strain rates from1×10^(-2)s^(-1)t...This study systematically investigates the mechanical response characteristics of Mo-10Cu pseudo-alloy under various conditions,including temperatures ranging from 298 K to 550 K,strain rates from1×10^(-2)s^(-1)to 5.2×10^(3)s^(-1),and dynamic impact loads from 134 m/s to 837 m/s.The investigation is conducted using a combination of multi-method crossover experiment and numerical simulations,with accuracy validated through X-ray testing and static penetration test.Using a universal testing machine,Split-Hopkinson Pressure Bar(SHPB)system,and a light-gas gun,the dynamic constitutive behavior and shock adiabatic curves of the alloy under complex loading conditions are revealed.Experimental results demonstrate that the flow stress evolution of Mo-10Cu alloy exhibits significant strain hardening,and strain-rate strengthening.Based on these observations,a Johnson-Cook(J-C)constitutive model has been developed to describe the material's dynamic behavior.Through free-surface particle velocity measurements,the shock adiabatic relationship was obtained,and a Gruneisen equation of state was established.X-ray experimental results confirm that the Mo-10Cu liner can generate well-formed,cohesive jets.The penetration test results show that the maximum penetration depth can reach243.10 mm.The maximum error between the numerical simulation and the X-ray test is less than 7.70%,and the error with the penetration test is 4.73%,which confirms the accuracy of the constitutive parameters and the state equation.In conclusion,the proposed J-C model and Gruneisen equation effectively predict the dynamic response and jet formation characteristics of Mo-10Cu alloy under extreme loads.This work provides both theoretical support and experimental data for material design and performance optimization in shaped charge applications.展开更多
Detonation performance is crucial for evaluating the power of high explosives(HEs),and the equation of state(EOS)that accurately describes the high-temperature,high-pressure,and high-temperature,medium-pressure states...Detonation performance is crucial for evaluating the power of high explosives(HEs),and the equation of state(EOS)that accurately describes the high-temperature,high-pressure,and high-temperature,medium-pressure states of detonation products is key to assessing the damage efficiency of these energetic materials.This article examines the limitations of the VLW EOS in representing the thermodynamic states of explosive detonation gas products under high-temperature and medium-to high-pressure conditions.A new gas EOS for detonation products,called VHL(Virial-Han-Long),is proposed.The accuracy of VHL in describing gas states under high-temperature and medium-to high-pressure conditions is verified,and its performance in evaluating explosive detonation and working capabilities is explored.The results demonstrate that VHL exhibits high precision in calculating detonation performance.Subsequently,the detonation performance of three new HEs(ICM-101,ONC,and TNAZ)was calculated and compared to traditional HEs(TATB,CL-20,and HMX).The results indicate that ONC has superior detonation performance compared to the other explosives,while ICM-101 shows a detonation velocity similar to CL-20 but with slightly lower detonation pressure.The detonation characteristics of TNAZ are comparable to those of the standard HE HMX.From the perspective of products,considering the comprehensive work performance(mechanical work and detonation heat),both ONC and ICM-101demonstrate relatively superior performance.展开更多
Natural gas is widely regarded as an efficient,relatively clean,and economically viable energy source.Its safe operation and continuous supply through pipeline infrastructure has led to its prominence in the energy se...Natural gas is widely regarded as an efficient,relatively clean,and economically viable energy source.Its safe operation and continuous supply through pipeline infrastructure has led to its prominence in the energy sector.Methanol plays an important role in the natural gas industry,typically serving as a solvent or hydrate inhibitor.Therefore,the accurate estimation of thermodynamic properties for methane/methanol binary is extremely important to optimise the operating parameter,maximise the dehydration effect,and reduce the cost.As the Helmholtz energy equation of state is expected to offer high accuracy in predicting the vapour-liquid equilibrium of methane/methanol binary,four reducing parameters were derived based on collected experimental data.Additionally,the sensitivities of various reducing parameter combinations were simultaneously investigated.The results demonstrated a strong agreement between predicted fractions and experimental data,with the UMADs(uncertainty-weighted mean absolute deviation)of 3.484 and 0.665 for liquid and vapour phases,respectively.Meanwhile,it is deemed“very likely”,“likely”,and“unlikely”to achieve acceptable prediction for 3-parameter optimisation,2-parameter optimisation and,1-parameter optimisation,respectively.展开更多
A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz ...A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz free energy as a function of specific volume and temperature is presented,where the cold component models both compression and expansion states,the thermal ion component introduces the Debye approximation and melting entropy,and the thermal electron component employs the Thomas-Fermi-Kirzhnits(TFK)model.The porosity of materials is considered by introducing the dynamic porosity coefficientαand the constitutive P-αrelation,connecting the thermodynamic properties between dense and porous systems,allowing for an accurate description of the volume decrease caused by void collapse while maintaining the quasi-static thermodynamic properties of porous systems identical to the dense ones.These models enable the EOS applicable and robust at wide ranges of temperature,pressure and porosity.A systematic evaluation of the new EOS is conducted with aluminum(Al)as an example.300 K isotherm,shock Hugoniot,as well as melting curves of both dense and porous Al are calculated,which shows great agreements with experimental data and validates the effectiveness of the models and the accuracy of parameterizations.Notably,it is for the first time Hugoniot P-σcurves up to 10~6 GPa and shock melting behaviors of porous Al are derived from analytical EOS models,which predict much lower compression limit and shock melting temperatures than those of dense Al.展开更多
In our previous paper we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. This is a continuation for evaluating TM EOS in predicting PVT properties of heavy n...In our previous paper we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. This is a continuation for evaluating TM EOS in predicting PVT properties of heavy n-alkanes. Liquid density of long-chain n-alkane systems from C 9 to C 20 have been calculated using an analytical equation of state based on the statistical-mechanical perturbation theory. The second virial coefficients of these n-alkanes are scarce and there is no accurate potential energy function for their theoretical calculation. In this work the second virial coefficients are calculated using a corresponding state correlation based on surface tension and liquid density at the freezing point. The deviation of calculated densities of these alkanes is within 0.5% from experimental data. The densities of n-alkanes obtained from the TM EOS are compared with those calculated from Ihm-Song-Mason equation of state and the corresponding-states liquid densities (COSTALD). Our results are in favor of the preference of the TM EOS over other two equations of state.展开更多
Based on the Hugenholtz-Van Hove theorem six basic quantities of the EoS in isospin asymmetric nuclear matter are expressed in terms of the nucleon kinetic energy t(k),the isospin symmetric and asymmetric parts of the...Based on the Hugenholtz-Van Hove theorem six basic quantities of the EoS in isospin asymmetric nuclear matter are expressed in terms of the nucleon kinetic energy t(k),the isospin symmetric and asymmetric parts of the single-nucleon potentials U_(0)(ρ,k)and U_(sym,i)(ρ,k).The six basic quantities include the quadratic symmetry energy E_(sym,2)(ρ),the quartic symmetry energy E_(sym,4)(ρ),their corresponding density slopes L_(2)(ρ)and L_(4)(ρ),and the incompressibility coefficients K_(2)(ρ)and K_(4)(ρ).By using four types of well-known effective nucleon-nucleon interaction models,namely the BGBD,MDI,Skyrme,and Gogny forces,the density-and isospin-dependent properties of these basic quantities are systematically calculated and their values at the saturation density q_(0)are explicitly given.The contributions to these quantities from t(k)U_(0)(ρ,k),and U_(sym,i)(ρ,k)are also analyzed at the norma nuclear density q_(0).It is clearly shown that the first-order asymmetric term U_(sym,1)(ρ,k)(also known as the symmetry potential in the Lane potential)plays a vital role in determining the density dependence of the quadratic symmetry energy E_(sym,2)(ρ).It is also shown that the contributions from the high-order asymmetric parts of the single-nucleon potentials(U_(sym,i)(ρ,k)with i>1)cannot be neglected in the calculations of the other five basic quantities Moreover,by analyzing the properties of asymmetric nuclear matter at the exact saturation densityρ_(sat)(δ),the corresponding quadratic incompressibility coefficient is found to have a simple empirical relation K_(sat,2)=K_(2)(ρ_(0))-4.14L_(2)(ρ_(0))展开更多
This paper presents a three-dimensional, three-phase compositional model considering CO2 phase equilibrium between water and oil. In this model, CO2 is mutually soluble in aqueous and hydrocarbon phases, while other c...This paper presents a three-dimensional, three-phase compositional model considering CO2 phase equilibrium between water and oil. In this model, CO2 is mutually soluble in aqueous and hydrocarbon phases, while other components, except water,exist in hydrocarbon phase. The Peng–Robinson(PR) equation of state and the Wong–Sandler mixing rule with non-random two-liquid parameters are used to calculate CO2 fugacity in the aqueous phase. One-dimensional and three-dimensional CO2 flooding examples show that a significant amount of injected CO2 is dissolved in water. Our simulation shows 7% of injected CO2 can be dissolved in the aqueous phase, which delays oil recovery by 4%. The gas rate predicted by the model is smaller than the conventional model as long as water is undersaturated by CO2, which can be considered as 'lost' in the aqueous phase. The model also predicts that the delayed oil can be recovered after the gas breakthrough, indicating that delayed oil is hard to recover in field applications. A three-dimensional example reveals that a highly stratified reservoir causes uneven displacement and serious CO2 breakthrough. If mobility control measures like water alternating gas are undertaken, the solubility e ects will be more pronounced than this example.展开更多
In this paper we introduce the wide regime equation of state(WEOS)developed in Institute of Applied Physics and Computational Mathematics(IAPCM).A semi-empirical model of the WEOS is given by a thermodynamically compl...In this paper we introduce the wide regime equation of state(WEOS)developed in Institute of Applied Physics and Computational Mathematics(IAPCM).A semi-empirical model of the WEOS is given by a thermodynamically complete potential of the Helmholtz free energy which combines several theoretical models and has some adjustable parameters calibrated via some experimental and theoretical data.The validation methods of the equation of state in wide regime are presented using copper as a prototype.The results of the WEOS are well consistent with the available theoretical and experimental data,including ab initio cold curve under compression,isotherm,Hugoniot,off-Hugoniot and sound velocity data.It enhances our confidence in the accuracy of the WEOS,which is very important for the validation and verification of equation of state in high temperature and pressure technology.展开更多
An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperat...An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature （pVT） and phase equilibrium of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The mo- lecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular parameters of homologous substances, subsequently p VT and vapor-liquid equilibria vapor-liquid equilibria （VLE） can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.展开更多
Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state, the factor a in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by origi...Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state, the factor a in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by original and modified SRK equation of state combined with MHV1 mixing rule and UNIFAC model, respectively. For 1447 saturated pressure points of 37 substance including alkanes; organics containing chlorine, fluorine, and oxygen; inorganic gases and water, the original SRK equation of state predicted pressure with an average deviation of 2.521% and modified one 1.673%. Binary vapor-liquid equilibria of alcohols containing mixtures and water containing mixtures also indicated that the SRK equation of state with the modified a had a better precision than that with the original one.展开更多
The universe content is considered as a non-perfect fluid with bulk viscosity and is described by a more general equation of state(endowed some deviation from the conventionally assumed cosmic perfect fluid model).We ...The universe content is considered as a non-perfect fluid with bulk viscosity and is described by a more general equation of state(endowed some deviation from the conventionally assumed cosmic perfect fluid model).We assume the bulk viscosityis a linear combination of two terms:one is constant,and the other is proportional to the scalar expansion 0=3a/a.The equation of state is described as p=(γ-1)p+po,where po is a parameter.In this framework we demonstrate that this model can be used to explain the dark energy dominated universe,and different proper choices of the parameters may lead to three kinds of fates of the cosmological evolution:no future singularity,big rip,or Type-Ⅲsingularity as presented in[S.Nojiri,S.D.Odintsov,and S.Tsujikawa,Phys.Rev.D 71(2005)063004].展开更多
Making use of Weierstrass＇s theorem and Chebyshev＇s theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequen...Making use of Weierstrass＇s theorem and Chebyshev＇s theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequence of polynomials such that the equation of state is given by the limit of the sequence of polynomials. The polynomials of the best approximation from the third order up to the eighth order are obtained so that the Carnahan-Starling equation can be improved successively. The resulting equations of state are in good agreement with the simulation results on the stable fluid branch and on the metastable fluid branch.展开更多
Cubic equations of state(EOSs) are simple and easy at calculation. One way of improving the accuracy of a cubic EOS is through the modification of temperature-dependent energy parameter by using alpha-function.The ind...Cubic equations of state(EOSs) are simple and easy at calculation. One way of improving the accuracy of a cubic EOS is through the modification of temperature-dependent energy parameter by using alpha-function.The industrial applications of natural gas are very wide and as a result, prediction of thermodynamic properties and phase behavior of natural gas is an important part of design for such processes. In this work we develop a newα-function for the Peng-Robinson(PR) EOS with the parameters optimized especially for natural gas components.The parameters are generalized as a linear function of acentric factor. The results are compared to the predictions from original PR EOS and other α-functions in literature. It is shown that the new α-function presents a good accuracy with the average deviation of 1.42% for natural gas components.展开更多
In this paper, the Martin-Hou equation of state is derived by using a power series representation of radial distribution function and an analytic representation of multi-section potential based on the Barker-Henderso...In this paper, the Martin-Hou equation of state is derived by using a power series representation of radial distribution function and an analytic representation of multi-section potential based on the Barker-Henderson hard-particle perturbation theory including high-order terms. In the derivation, a theoretical form of Martin-Hou equation was obtained. It had a similar form and the same capability to predict P-V-T properties as the Martin-Hou equation and no additional data were required for evaluating the constants. The characteristic constants of the theoretical expression have certain relationships with the molecular parameters.展开更多
Adopting the classical theory of hydrocodes,the constitutive relations of concretes are separated into an equation of state(EoS)which describes the volumetric behavior of concrete material and a strength model which d...Adopting the classical theory of hydrocodes,the constitutive relations of concretes are separated into an equation of state(EoS)which describes the volumetric behavior of concrete material and a strength model which depicts the shear properties of concrete.The experiments on the EoS of concrete is always challenging due to the technical difficulties and equipment limitations,especially for the specimen size effect on the EoS.Although some researchers investigate the shock properties of concretes by fly-plate impact tests,the specimens used in their tests are usually in one size.In this paper,the fly-plate impact tests on concrete specimens with different sizes are performed to investigate the size effect on the shock properties of concrete materials.The mechanical background of the size effect on the shock properties are revealed,which is related to the lateral rarefaction effect and the deviatoric stress produced in the specimen.According to the tests results,the modified EoS considering the size effect on the shock properties of concrete are proposed,which the bulk modulus of concrete is unpredicted by up to 20% if size effects are not accounted for.展开更多
A new general equation of state is presented, which can be used to express not only common cubic equations of state, but also quartic equations of state and so on. Main advantage of the new equation over the previous ...A new general equation of state is presented, which can be used to express not only common cubic equations of state, but also quartic equations of state and so on. Main advantage of the new equation over the previous general equations is that it is in simple form, and is easy to manipulate mathematically.展开更多
The Galilean invariance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar-Gross-Krook model are proposed together with their rigorous theoretical background. From the viewpoint of group invarianc...The Galilean invariance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar-Gross-Krook model are proposed together with their rigorous theoretical background. From the viewpoint of group invariance, recovering the Galilean invariance for the isothermal lattice Boltzmann Bhatnagar-Gross-Krook equation （LBGKE） induces a new natural thermal-dynamical system, which is compatible with the elementary statistical thermodynamics.展开更多
The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of sur...The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.展开更多
A simple extension of cubic equations of state(EOS)to polymer systems has been proposed.The So-ave-Redlich-Kwong(SRK)EOS was taken as a prototype to be used to describe the PVT behavior of polymer melts in a wide temp...A simple extension of cubic equations of state(EOS)to polymer systems has been proposed.The So-ave-Redlich-Kwong(SRK)EOS was taken as a prototype to be used to describe the PVT behavior of polymer melts in a wide temperature and pressure range.Combined with a modified Huron-Vidal gE-mixing rule it was applied for modeling vapor-liquid equilibria of polymer-solvent solutions and the solubility of supercritical gases in polymer melts.Satisfactory results are obtained.展开更多
基金funded by the Research program FMUW-2021-0002 of the IPGG RAS.
文摘An equation of state(EOS)was obtained that accurately describes the thermodynamics of the system H_(2)O–CO_(2) at temperatures of 50–350°C and pressures of 0.2–3.5 kbar.The equation is based on experimental data on the compositions of the coexisting liquid and gas phases and the Van Laar model,within which the values of the Van Laar parameters A12 and A21 were found for each experimental P-T point.For the resulting sets A12(P,T),A21(P,T),approximation formulas describing the dependences of these quantities on temperature and pressure were found and the parameters contained in the formulas were fitted.This two-stage approach made it possible to obtain an adequate thermodynamic description of the system,which allows,in addition to determining the phase state of the system(homogeneous or heterogeneous),to calculate the excess free energy of mixing of H_(2)O and CO_(2),the activities of H_(2)O and CO_(2),and other thermodynamic characteristics of the system.The possibility of such calculations creates the basis for using the obtained EOS in thermodynamic models of more complicated fluid systems in P-T conditions of the middle and upper crust.These fluids play an important role in many geological processes including the transport of ore matter and forming hydrothermal ore deposits,in particular,the most of the world’s gold deposits.The knowledge of thermodynamics of these fluids is important in the technology of drilling oil and gas wells.In particular,this concerns the prevention of precipitation of solid salts in the well.
基金funded by the China Postdoctoral Science Foundation(Grant No.2022M721614)。
文摘This study systematically investigates the mechanical response characteristics of Mo-10Cu pseudo-alloy under various conditions,including temperatures ranging from 298 K to 550 K,strain rates from1×10^(-2)s^(-1)to 5.2×10^(3)s^(-1),and dynamic impact loads from 134 m/s to 837 m/s.The investigation is conducted using a combination of multi-method crossover experiment and numerical simulations,with accuracy validated through X-ray testing and static penetration test.Using a universal testing machine,Split-Hopkinson Pressure Bar(SHPB)system,and a light-gas gun,the dynamic constitutive behavior and shock adiabatic curves of the alloy under complex loading conditions are revealed.Experimental results demonstrate that the flow stress evolution of Mo-10Cu alloy exhibits significant strain hardening,and strain-rate strengthening.Based on these observations,a Johnson-Cook(J-C)constitutive model has been developed to describe the material's dynamic behavior.Through free-surface particle velocity measurements,the shock adiabatic relationship was obtained,and a Gruneisen equation of state was established.X-ray experimental results confirm that the Mo-10Cu liner can generate well-formed,cohesive jets.The penetration test results show that the maximum penetration depth can reach243.10 mm.The maximum error between the numerical simulation and the X-ray test is less than 7.70%,and the error with the penetration test is 4.73%,which confirms the accuracy of the constitutive parameters and the state equation.In conclusion,the proposed J-C model and Gruneisen equation effectively predict the dynamic response and jet formation characteristics of Mo-10Cu alloy under extreme loads.This work provides both theoretical support and experimental data for material design and performance optimization in shaped charge applications.
基金supported by the National Natural Science Foundation of China(Gant Nos.11372291 and 11902298)。
文摘Detonation performance is crucial for evaluating the power of high explosives(HEs),and the equation of state(EOS)that accurately describes the high-temperature,high-pressure,and high-temperature,medium-pressure states of detonation products is key to assessing the damage efficiency of these energetic materials.This article examines the limitations of the VLW EOS in representing the thermodynamic states of explosive detonation gas products under high-temperature and medium-to high-pressure conditions.A new gas EOS for detonation products,called VHL(Virial-Han-Long),is proposed.The accuracy of VHL in describing gas states under high-temperature and medium-to high-pressure conditions is verified,and its performance in evaluating explosive detonation and working capabilities is explored.The results demonstrate that VHL exhibits high precision in calculating detonation performance.Subsequently,the detonation performance of three new HEs(ICM-101,ONC,and TNAZ)was calculated and compared to traditional HEs(TATB,CL-20,and HMX).The results indicate that ONC has superior detonation performance compared to the other explosives,while ICM-101 shows a detonation velocity similar to CL-20 but with slightly lower detonation pressure.The detonation characteristics of TNAZ are comparable to those of the standard HE HMX.From the perspective of products,considering the comprehensive work performance(mechanical work and detonation heat),both ONC and ICM-101demonstrate relatively superior performance.
基金supported financially by the National Natural Science Foundation of China(52202434)the National Natural Science Foundation of Ningbo(2023J275).
文摘Natural gas is widely regarded as an efficient,relatively clean,and economically viable energy source.Its safe operation and continuous supply through pipeline infrastructure has led to its prominence in the energy sector.Methanol plays an important role in the natural gas industry,typically serving as a solvent or hydrate inhibitor.Therefore,the accurate estimation of thermodynamic properties for methane/methanol binary is extremely important to optimise the operating parameter,maximise the dehydration effect,and reduce the cost.As the Helmholtz energy equation of state is expected to offer high accuracy in predicting the vapour-liquid equilibrium of methane/methanol binary,four reducing parameters were derived based on collected experimental data.Additionally,the sensitivities of various reducing parameter combinations were simultaneously investigated.The results demonstrated a strong agreement between predicted fractions and experimental data,with the UMADs(uncertainty-weighted mean absolute deviation)of 3.484 and 0.665 for liquid and vapour phases,respectively.Meanwhile,it is deemed“very likely”,“likely”,and“unlikely”to achieve acceptable prediction for 3-parameter optimisation,2-parameter optimisation and,1-parameter optimisation,respectively.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12205023,U2230401,12374056,U23A20537,11904027)。
文摘A thermodynamically complete multi-phase equation of state(EOS)applicable to both dense and porous metals at wide ranges of temperature and pressure is constructed.A standard three-term decomposition of the Helmholtz free energy as a function of specific volume and temperature is presented,where the cold component models both compression and expansion states,the thermal ion component introduces the Debye approximation and melting entropy,and the thermal electron component employs the Thomas-Fermi-Kirzhnits(TFK)model.The porosity of materials is considered by introducing the dynamic porosity coefficientαand the constitutive P-αrelation,connecting the thermodynamic properties between dense and porous systems,allowing for an accurate description of the volume decrease caused by void collapse while maintaining the quasi-static thermodynamic properties of porous systems identical to the dense ones.These models enable the EOS applicable and robust at wide ranges of temperature,pressure and porosity.A systematic evaluation of the new EOS is conducted with aluminum(Al)as an example.300 K isotherm,shock Hugoniot,as well as melting curves of both dense and porous Al are calculated,which shows great agreements with experimental data and validates the effectiveness of the models and the accuracy of parameterizations.Notably,it is for the first time Hugoniot P-σcurves up to 10~6 GPa and shock melting behaviors of porous Al are derived from analytical EOS models,which predict much lower compression limit and shock melting temperatures than those of dense Al.
基金H. Karimi and F. Yousefi would like to thank Yasouj University for supporting this project
文摘In our previous paper we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. This is a continuation for evaluating TM EOS in predicting PVT properties of heavy n-alkanes. Liquid density of long-chain n-alkane systems from C 9 to C 20 have been calculated using an analytical equation of state based on the statistical-mechanical perturbation theory. The second virial coefficients of these n-alkanes are scarce and there is no accurate potential energy function for their theoretical calculation. In this work the second virial coefficients are calculated using a corresponding state correlation based on surface tension and liquid density at the freezing point. The deviation of calculated densities of these alkanes is within 0.5% from experimental data. The densities of n-alkanes obtained from the TM EOS are compared with those calculated from Ihm-Song-Mason equation of state and the corresponding-states liquid densities (COSTALD). Our results are in favor of the preference of the TM EOS over other two equations of state.
基金supported by the National Natural Science Foundation of China(No.11822503)。
文摘Based on the Hugenholtz-Van Hove theorem six basic quantities of the EoS in isospin asymmetric nuclear matter are expressed in terms of the nucleon kinetic energy t(k),the isospin symmetric and asymmetric parts of the single-nucleon potentials U_(0)(ρ,k)and U_(sym,i)(ρ,k).The six basic quantities include the quadratic symmetry energy E_(sym,2)(ρ),the quartic symmetry energy E_(sym,4)(ρ),their corresponding density slopes L_(2)(ρ)and L_(4)(ρ),and the incompressibility coefficients K_(2)(ρ)and K_(4)(ρ).By using four types of well-known effective nucleon-nucleon interaction models,namely the BGBD,MDI,Skyrme,and Gogny forces,the density-and isospin-dependent properties of these basic quantities are systematically calculated and their values at the saturation density q_(0)are explicitly given.The contributions to these quantities from t(k)U_(0)(ρ,k),and U_(sym,i)(ρ,k)are also analyzed at the norma nuclear density q_(0).It is clearly shown that the first-order asymmetric term U_(sym,1)(ρ,k)(also known as the symmetry potential in the Lane potential)plays a vital role in determining the density dependence of the quadratic symmetry energy E_(sym,2)(ρ).It is also shown that the contributions from the high-order asymmetric parts of the single-nucleon potentials(U_(sym,i)(ρ,k)with i>1)cannot be neglected in the calculations of the other five basic quantities Moreover,by analyzing the properties of asymmetric nuclear matter at the exact saturation densityρ_(sat)(δ),the corresponding quadratic incompressibility coefficient is found to have a simple empirical relation K_(sat,2)=K_(2)(ρ_(0))-4.14L_(2)(ρ_(0))
基金financially supported by National Natural Science Foundation of China(U1762101)National Science and Technology Major Projects(2017ZX05069)
文摘This paper presents a three-dimensional, three-phase compositional model considering CO2 phase equilibrium between water and oil. In this model, CO2 is mutually soluble in aqueous and hydrocarbon phases, while other components, except water,exist in hydrocarbon phase. The Peng–Robinson(PR) equation of state and the Wong–Sandler mixing rule with non-random two-liquid parameters are used to calculate CO2 fugacity in the aqueous phase. One-dimensional and three-dimensional CO2 flooding examples show that a significant amount of injected CO2 is dissolved in water. Our simulation shows 7% of injected CO2 can be dissolved in the aqueous phase, which delays oil recovery by 4%. The gas rate predicted by the model is smaller than the conventional model as long as water is undersaturated by CO2, which can be considered as 'lost' in the aqueous phase. The model also predicts that the delayed oil can be recovered after the gas breakthrough, indicating that delayed oil is hard to recover in field applications. A three-dimensional example reveals that a highly stratified reservoir causes uneven displacement and serious CO2 breakthrough. If mobility control measures like water alternating gas are undertaken, the solubility e ects will be more pronounced than this example.
基金supported by the National Natural Science Foundation of China(Nos.10804011,11176002).
文摘In this paper we introduce the wide regime equation of state(WEOS)developed in Institute of Applied Physics and Computational Mathematics(IAPCM).A semi-empirical model of the WEOS is given by a thermodynamically complete potential of the Helmholtz free energy which combines several theoretical models and has some adjustable parameters calibrated via some experimental and theoretical data.The validation methods of the equation of state in wide regime are presented using copper as a prototype.The results of the WEOS are well consistent with the available theoretical and experimental data,including ab initio cold curve under compression,isotherm,Hugoniot,off-Hugoniot and sound velocity data.It enhances our confidence in the accuracy of the WEOS,which is very important for the validation and verification of equation of state in high temperature and pressure technology.
基金Supported by the National Natural Science Foundation of China （20876041, 20736002）, the National Basic Research Program of China （2009CB219902）, Program for Changjiang Scholars and Innovative Research Team in University of China （IRT0721） and the 111 Project of China （B08021）.
文摘An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature （pVT） and phase equilibrium of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The mo- lecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular parameters of homologous substances, subsequently p VT and vapor-liquid equilibria vapor-liquid equilibria （VLE） can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.
文摘Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state, the factor a in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by original and modified SRK equation of state combined with MHV1 mixing rule and UNIFAC model, respectively. For 1447 saturated pressure points of 37 substance including alkanes; organics containing chlorine, fluorine, and oxygen; inorganic gases and water, the original SRK equation of state predicted pressure with an average deviation of 2.521% and modified one 1.673%. Binary vapor-liquid equilibria of alcohols containing mixtures and water containing mixtures also indicated that the SRK equation of state with the modified a had a better precision than that with the original one.
基金The project partly supported by National Natural Science Foundation of China under Grant No.10675062the Doctoral Foundation of China We thank Profs.I.Brevik,S.D.0dintsov,and Lewis H.Ryder for lots of interesting discussions.
文摘The universe content is considered as a non-perfect fluid with bulk viscosity and is described by a more general equation of state(endowed some deviation from the conventionally assumed cosmic perfect fluid model).We assume the bulk viscosityis a linear combination of two terms:one is constant,and the other is proportional to the scalar expansion 0=3a/a.The equation of state is described as p=(γ-1)p+po,where po is a parameter.In this framework we demonstrate that this model can be used to explain the dark energy dominated universe,and different proper choices of the parameters may lead to three kinds of fates of the cosmological evolution:no future singularity,big rip,or Type-Ⅲsingularity as presented in[S.Nojiri,S.D.Odintsov,and S.Tsujikawa,Phys.Rev.D 71(2005)063004].
文摘Making use of Weierstrass＇s theorem and Chebyshev＇s theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequence of polynomials such that the equation of state is given by the limit of the sequence of polynomials. The polynomials of the best approximation from the third order up to the eighth order are obtained so that the Carnahan-Starling equation can be improved successively. The resulting equations of state are in good agreement with the simulation results on the stable fluid branch and on the metastable fluid branch.
文摘Cubic equations of state(EOSs) are simple and easy at calculation. One way of improving the accuracy of a cubic EOS is through the modification of temperature-dependent energy parameter by using alpha-function.The industrial applications of natural gas are very wide and as a result, prediction of thermodynamic properties and phase behavior of natural gas is an important part of design for such processes. In this work we develop a newα-function for the Peng-Robinson(PR) EOS with the parameters optimized especially for natural gas components.The parameters are generalized as a linear function of acentric factor. The results are compared to the predictions from original PR EOS and other α-functions in literature. It is shown that the new α-function presents a good accuracy with the average deviation of 1.42% for natural gas components.
基金Zhejiang Provincial Natural Science Foundation of China!(No. 298013)
文摘In this paper, the Martin-Hou equation of state is derived by using a power series representation of radial distribution function and an analytic representation of multi-section potential based on the Barker-Henderson hard-particle perturbation theory including high-order terms. In the derivation, a theoretical form of Martin-Hou equation was obtained. It had a similar form and the same capability to predict P-V-T properties as the Martin-Hou equation and no additional data were required for evaluating the constants. The characteristic constants of the theoretical expression have certain relationships with the molecular parameters.
基金supported by the National Natural Science Foundation of China[Grant Nos.51938011 and 51908405]Australian Research Council。
文摘Adopting the classical theory of hydrocodes,the constitutive relations of concretes are separated into an equation of state(EoS)which describes the volumetric behavior of concrete material and a strength model which depicts the shear properties of concrete.The experiments on the EoS of concrete is always challenging due to the technical difficulties and equipment limitations,especially for the specimen size effect on the EoS.Although some researchers investigate the shock properties of concretes by fly-plate impact tests,the specimens used in their tests are usually in one size.In this paper,the fly-plate impact tests on concrete specimens with different sizes are performed to investigate the size effect on the shock properties of concrete materials.The mechanical background of the size effect on the shock properties are revealed,which is related to the lateral rarefaction effect and the deviatoric stress produced in the specimen.According to the tests results,the modified EoS considering the size effect on the shock properties of concrete are proposed,which the bulk modulus of concrete is unpredicted by up to 20% if size effects are not accounted for.
文摘A new general equation of state is presented, which can be used to express not only common cubic equations of state, but also quartic equations of state and so on. Main advantage of the new equation over the previous general equations is that it is in simple form, and is easy to manipulate mathematically.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 90816013 and 10572083)Shanghai Leading Academic Discipline Project,China (Grant No Y0103)
文摘The Galilean invariance and the induced thermo-hydrodynamics of the lattice Boltzmann Bhatnagar-Gross-Krook model are proposed together with their rigorous theoretical background. From the viewpoint of group invariance, recovering the Galilean invariance for the isothermal lattice Boltzmann Bhatnagar-Gross-Krook equation （LBGKE） induces a new natural thermal-dynamical system, which is compatible with the elementary statistical thermodynamics.
基金Supported by the National Natural Science Foundation of China （20776040 20876041 20736002） the National Basic Research Program of China （2009CB219902）+1 种基金 the Program for Changjiang Scholars and Innovative Research Team in University of China （Grant IRT0721） the 111 Project （Grant B08021） of China
文摘The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.
基金Supported by the Zhejiang Provincial Foundation for Returned Scholarsthe Scientific Research Foundation of the State Human Resource Ministry.
文摘A simple extension of cubic equations of state(EOS)to polymer systems has been proposed.The So-ave-Redlich-Kwong(SRK)EOS was taken as a prototype to be used to describe the PVT behavior of polymer melts in a wide temperature and pressure range.Combined with a modified Huron-Vidal gE-mixing rule it was applied for modeling vapor-liquid equilibria of polymer-solvent solutions and the solubility of supercritical gases in polymer melts.Satisfactory results are obtained.
