Encouraged by the wide spectrum of novel applications of gas hydrates,e.g.,energy recovery,gas separation,gas storage,gas transportation,water desalination,and hydrogen hydrate as a green energy resource,as well as CO...Encouraged by the wide spectrum of novel applications of gas hydrates,e.g.,energy recovery,gas separation,gas storage,gas transportation,water desalination,and hydrogen hydrate as a green energy resource,as well as CO2 capturing,many scientists have focused their attention on investigating this important phenomenon.Of course,from an engineering viewpoint,the mathematical modeling of gas hydrates is of paramount importance,as anticipation of gas hydrate stability conditions is effective in the design and control of industrial processes.Overall,the thermodynamic modeling of gas hydrate can be tackled as an equilibration of three phases,i.e.,liquid,gas,and solid hydrate.The inseparable component in all hydrate systems,water,is highly polar and non-ideal,necessitating the use of more advanced equation of states(EoSs) that take into account more intermolecular forces for thermodynamic modeling of these systems.Motivated by the ever-increasing number of publications on this topic,this study aims to review the application of associating EoSs for the thermodynamic modeling of gas hydrates.Three most important hydrate-based models available in the literature including the van der Waals-Platteeuw(vdW-P) model,Chen-Guo model,and Klauda-Sandler model coupled with and SAFT EoSs were investigated and compared with cubic EoSs.It was concluded that the CPA and SAFT EoSs gave very accurate results for hydrate systems as they take into account the association interactions,which are very crucial in gas hydrate systems in which water,methanol,glycols,and other types of associating compounds are available.Moreover,it was concluded that the CPA EoS is easier to use than the SAFT-type EoSs and our suggestion for the gas hydrate systems is the CPA EoS.展开更多
Progress in hydrate thermodynamic study necessitates robust and fast models to be incorporated in reservoir simulation softwares. However, numerous models presented in the literature makes selection of the best,proper...Progress in hydrate thermodynamic study necessitates robust and fast models to be incorporated in reservoir simulation softwares. However, numerous models presented in the literature makes selection of the best,proper predictive model a cumbersome task. It is of industrial interest to make use of cubic equations of state(EOS) for modeling hydrate equilibria. In this regard, this study focuses on evaluation of three common EOSs including Peng–Robinson, Soave–Redlich–Kwong and Valderrama–Patel–Teja coupled with van der Waals and Platteeuw theory to predict hydrate P–T equilibrium of a real natural gas sample. Each EOS was accompanied with three mixing rules, including van der Waals(vd W),Avlonitis non-density dependent(ANDD) and general nonquadratic(GNQ). The prediction of cubic EOSs was in sufficient agreement with experimental data and with overall AARD% of less than unity. In addition, PR plus ANDD proved to be the most accurate model in this study for prediction of hydrate equilibria with AARD% of 0.166.It was observed that the accuracy of cubic EOSs studied in this paper depends on mixing rule coupled with them,especially at high-pressure conditions. Lastly, the present study does not include any adjustable parameter to be correlated with hydrate phase equilibrium data.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
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
We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liqu...We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liquid state using the equation of state containing only two physical parameters such as the hard sphere diameter and binding energy. The temperature dependence of the structural properties and the thermodynamic behavior of the clusters are studied. Computations based on f predict the variation of numbers of particles at the contact point of the molecular cavity（radial distribution function）.From the thermodynamic profile of the fluid, the model results are discussed in terms of the cavity due to the closed surface along with suitable energy. The present calculation is based upon the sample thermodynamic data for n-hexanol, such as the ultrasonic wave, density, volume expansion coefficient, and ratio of specific heat in the liquid state, and it is consistent with the thermodynamic relations containing physical parameters such as size and energy. Since the data is restricted to n-hexanol, we avoid giving the physical meaning of f, which is the key parameter studied in the present work.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
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
Based on the classical Roe method, we develop an interface capture method according to the general equation of state, and extend the single-fluid Roe method to the two-dimensional （2D） multi-fluid flows, as well as ...Based on the classical Roe method, we develop an interface capture method according to the general equation of state, and extend the single-fluid Roe method to the two-dimensional （2D） multi-fluid flows, as well as construct the continuous Roe matrix for the whole flow field. The interface capture equations and fluid dynamic conservative equations are coupled together and solved by using any high-resolution schemes that usually suit for the single-fluid flows. Some numerical examples are given to illustrate the solution of 1D and 2D multi-fluid Riemann problems.展开更多
The unreacted equation of state（EOS） of energetic materials is an important thermodynamic relationship to characterize their high pressure behaviors and has practical importance. The previous experimental and theore...The unreacted equation of state（EOS） of energetic materials is an important thermodynamic relationship to characterize their high pressure behaviors and has practical importance. The previous experimental and theoretical works on the equation of state of several energetic materials including nitromethane, 1,3,5-trinitrohexahydro-1,3,5-triazine（RDX）,1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane（HMX）, hexanitrostilbene（HNS）, hexanitrohexaazaisowurtzitane（HNIW or CL-20）, pentaerythritol tetranitrate（PETN）, 2,6-diamino-3,5-dinitropyrazine-1-oxide（LLM-105）, triamino-trinitrobenzene（TATB）, 1,1-diamino-2,2-dinitroethene（DADNE or FOX-7）, and trinitrotoluene（TNT） are reviewed in this paper. The EOS determined from hydrostatic and non-hydrostatic compressions are discussed and compared. The theoretical results based on ab initio calculations are summarized and compared with the experimental data.展开更多
The equation of state for nuclear matter is presented within the Brueckner Hartree-Fock （BHF） scheme, by using the realistic Argonne VI8 or Bonn B two-nucleon potentials plus their corresponding microscopic three-nu...The equation of state for nuclear matter is presented within the Brueckner Hartree-Fock （BHF） scheme, by using the realistic Argonne VI8 or Bonn B two-nucleon potentials plus their corresponding microscopic three-nucleon forces. It is then applied to calculate the properties of finite nuclei within a simple liquid-drop model, and we compare the calculated volume, surface, and Coulomb parameters with the empirical ones from the liquid drop model. Nuclear density distributions and charge radii in good agreement with the experimental data are obtained~ and we predict the neutron skin thickness of various nuclei.展开更多
Thermodynamic calculation is the theoretical basis for the study of initiation and detonation,as well as the prerequisite for forecasting the detonation performance of unknown explosives.Based on the VLWR(Virial-Wu)th...Thermodynamic calculation is the theoretical basis for the study of initiation and detonation,as well as the prerequisite for forecasting the detonation performance of unknown explosives.Based on the VLWR(Virial-Wu)thermodynamic code,this paper introduced the universal solid equation of state(EOS)VINET.In order to truly reflect the compressibility of nanocarbon under the extremely high-temperature and high-pressure environment in detonation,an SVM(support vector machine)was utilized to optimize the input parameters of carbon.The detonation performance of several explosives with different densities was calculated by the optimized universal EOS,and the results show that the thermodynamic code coupled with the universal solid EOS VINET can predict the detonation performance parameters of explosives well.To investigate the application of the thermodynamic code with the improved VINET EOS in the working capacity of explosives,the interrelationship between pressure P-particle velocity u and pressure P-volume V were computed for the detonation products of TNT and HMX-based PBX(HMX:binder:insensitive agent=95:4.3:0.7)in the CJ isentropic state.A universal curve proposed by Cooper was used to compared the computed isentropic state,where the ratio of pressure to CJ state were plotted against the ratio of velocity to CJ state.The parameters of the JWL(Jones-Wilkins-Lee)EOS for detonation products were obtained by fitting the P-V curve.The cylinder tests of TNT and HMX-based PBX were numerically simulated using the LS-DYNA,it is verified that,within a certain range,the improved algorithm has superiority in describing the working capacity of explosives.展开更多
The present work uses the concept of a scaled particle along with the perturbation and variation approach, to develop an equation of state （EOS） for a mixture of hard sphere （HS）, Lennar-Jones （L J） fluids. A su...The present work uses the concept of a scaled particle along with the perturbation and variation approach, to develop an equation of state （EOS） for a mixture of hard sphere （HS）, Lennar-Jones （L J） fluids. A suitable flexible functional form for the radial distribution function G（R） is assumed for the mixture, with R as a variable. The function G（R） has an arbitrary parameter m and a different equation of state can be obtained with a suitable choice of m. For m = 0.75 and m = 0.83 results are close to molecular dynamics （MD） result for pure HS and LJ fluid respectively.展开更多
This study presents high pressure phase transitions and equation of states of cerium under pressures up to 51 GPa at room temperature. The angle-dispersive x-ray diffraction experiments are carried out using a high en...This study presents high pressure phase transitions and equation of states of cerium under pressures up to 51 GPa at room temperature. The angle-dispersive x-ray diffraction experiments are carried out using a high energy synchrotron x-ray source. The bulk moduli of high pressure phases of cerium are calculated using the Birch-Mumaghan equation. We discuss and correct several previous controversial conclusions, which are caused by the measurement accuracy or personal explanation. The c/a axial ratio of e-Ce has a maximum value at about 29 GPa, i.e., c/a ≈ 1.690.展开更多
The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theor...The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theoretical simulation,there is not any evidence of the ‘kink＇ in the Hugoniot curve in our accurate simulation. Throughout the shock compression process, only a simple solid-to-liquid melting behavior is demonstrated, instead of complicated solid–solid phase transitions. Moreover, the x-ray absorption near-edge spectroscopy has been predicted as a feasible way to diagnose the structural evolution of warm dense lithium in this density region.展开更多
In this paper, we employ the concept of probability for creating a cavity with diameter d in fluid along with the perturbation and variation approach, and develop an equation of state （EOS） for a hard sphere （HS） ...In this paper, we employ the concept of probability for creating a cavity with diameter d in fluid along with the perturbation and variation approach, and develop an equation of state （EOS） for a hard sphere （HS） and Lennard Jones （L J） fluids. A suitable axiomatic form for surface tension S（r） is assumed for the pure fluid, with r as a variable. The function S（r） has an arbitrary parameter rn. S（r） = A ＋ B（d/r）/[1 ＋ m（d/r）]. We use the condition in terms of radial distribution function G（λd,η） containing the self-consistent parameter λ and the condition of continuity at r = d/2 to determine A and B. A different EOS can be obtained with a suitable choice of rn and the EOS has a lower root-mean-square deviation than that of Barker-Henderson BH2 for LJ fluids.展开更多
The thermodynamic properties of the ε phase of solid oxygen are studied by using the analytic mean field approach （AMFP）. Analytic expressions for the Helmholtz free energy, internal energy and equation of state of...The thermodynamic properties of the ε phase of solid oxygen are studied by using the analytic mean field approach （AMFP）. Analytic expressions for the Helmholtz free energy, internal energy and equation of state of solid oxygen have been derived based on the multi-exponential potential. The formulism for the case of double-exponential （DE） model is applied to the ε phase of solid oxygen. Its four potential parameters are determined through fitting the experimental compression data of the ε phase of solid oxygen. Numerical results of the pressure dependence of the volume calculated by using the AMFP are in good agreement with the original experimental data. This suggests that the AMFP is a useful approach to study the thermodynamic properties of the ε phase of solid oxygen. Furthermore, we predict the variation of the volume, lattice parameters and intermolecular distances with pressure, and some thermodynamic quantities versus volume, at several higher temperatures.展开更多
We present a simple method of obtaining various equations of state for hard sphere fluid in a simple unifying way. We will guess equations of state by using suitable axiomatic functional forms （n = 1, 2, 3, 4, 5） fo...We present a simple method of obtaining various equations of state for hard sphere fluid in a simple unifying way. We will guess equations of state by using suitable axiomatic functional forms （n = 1, 2, 3, 4, 5） for surface tension Sn （r）, r≥ d/2 with intermolecular separation r as a variable, where m is an arbitrary real number （pole）. Among the equations of state obtained in this way are Percus-Yevick, scaled particle theory and Carnahan-Starling equations of state. In addition, we have found a simple equation of state for the hard sphere fluid in the region that represents the simulation data accurately. It is found that for both hard sphere fluids as well as Lennard-Jones fluids, with m = 3/4 the derived equation of state （EOS） gives results which are in good agreement with computer simulation results. Furthermore, this equation of state gives the Percus-Yevick （pressure） EOS for the m = 0, the Carnahan-Starling EOS for rn = 4/5, while for the value of m = 1 it corresponds to a scaled particle theory EOS.展开更多
Based on the governing equations which include the heat conduction equation in the target and the fluid equations of the vapor plasma,a two-dimensional axisymmetric model for ns-laser ablation considering the Knudsen ...Based on the governing equations which include the heat conduction equation in the target and the fluid equations of the vapor plasma,a two-dimensional axisymmetric model for ns-laser ablation considering the Knudsen layer and plasma shielding effect is developed.The equations of state of the plasma are described by a real gas approximation,which divides the internal energy into the thermal energy of atoms,ions and electrons,ionization energy and the excitation energy of atoms and ions.The dynamic evolution of the silicon target and plasma during laser ablation is studied by using this model,and the distributions of the temperature,plasma density,Mach number related to the evaporation/condensation of the target surface,laser transmissivity as well as internal energy of the plasma are given.It is found that the evolution of the target surface during laser ablation can be divided into three stages:(1)the target surface temperature increases continuously;(2)the sonic and subsonic evaporation;and(3)the subsonic condensation.The result of the internal energy distribution indicates that the ionization and excitation energy plays an important role in the internal energy of the plasma during laser ablation.This model is suitable for the case that the temperature of the target surface is lower than the critical temperature.展开更多
A simple equation of state （EOS） in wide ranges of pressure and temperature is constructed within the MieGruneisen Debye framework. Instead of the popular Birch-Murnaghan and Vinet EOS, we employ a five-parameter co...A simple equation of state （EOS） in wide ranges of pressure and temperature is constructed within the MieGruneisen Debye framework. Instead of the popular Birch-Murnaghan and Vinet EOS, we employ a five-parameter cold energy expression to represent the static EOS term, which can correctly produce cohesive energy without any spurious oscillations in the extreme compression and expansion regions, We developed a Pade approximation-based analytic Debye quasiharmonic model with high accuracy which improves the performance of EOS in the low temperature region. The anharmonic effect is taken into account by using a semi-empirical approach. Its reasonability is verified by the fact that the total thermal pressure tends to the lowest-order anharmonic expansion in the literature at low temperature, and tends to ideal-gas limitation at high temperature, which is physically correct. Besides, based on this approach, the anharmonic thermal pressure can be expressed in the Griineisen form, which is convenient for applications. The proposed EOS is used to study the thermodynamic properties of MgO including static and shock compression conditions, and the results are very satisfactory as compared with the experimental data.展开更多
文摘Encouraged by the wide spectrum of novel applications of gas hydrates,e.g.,energy recovery,gas separation,gas storage,gas transportation,water desalination,and hydrogen hydrate as a green energy resource,as well as CO2 capturing,many scientists have focused their attention on investigating this important phenomenon.Of course,from an engineering viewpoint,the mathematical modeling of gas hydrates is of paramount importance,as anticipation of gas hydrate stability conditions is effective in the design and control of industrial processes.Overall,the thermodynamic modeling of gas hydrate can be tackled as an equilibration of three phases,i.e.,liquid,gas,and solid hydrate.The inseparable component in all hydrate systems,water,is highly polar and non-ideal,necessitating the use of more advanced equation of states(EoSs) that take into account more intermolecular forces for thermodynamic modeling of these systems.Motivated by the ever-increasing number of publications on this topic,this study aims to review the application of associating EoSs for the thermodynamic modeling of gas hydrates.Three most important hydrate-based models available in the literature including the van der Waals-Platteeuw(vdW-P) model,Chen-Guo model,and Klauda-Sandler model coupled with and SAFT EoSs were investigated and compared with cubic EoSs.It was concluded that the CPA and SAFT EoSs gave very accurate results for hydrate systems as they take into account the association interactions,which are very crucial in gas hydrate systems in which water,methanol,glycols,and other types of associating compounds are available.Moreover,it was concluded that the CPA EoS is easier to use than the SAFT-type EoSs and our suggestion for the gas hydrate systems is the CPA EoS.
文摘Progress in hydrate thermodynamic study necessitates robust and fast models to be incorporated in reservoir simulation softwares. However, numerous models presented in the literature makes selection of the best,proper predictive model a cumbersome task. It is of industrial interest to make use of cubic equations of state(EOS) for modeling hydrate equilibria. In this regard, this study focuses on evaluation of three common EOSs including Peng–Robinson, Soave–Redlich–Kwong and Valderrama–Patel–Teja coupled with van der Waals and Platteeuw theory to predict hydrate P–T equilibrium of a real natural gas sample. Each EOS was accompanied with three mixing rules, including van der Waals(vd W),Avlonitis non-density dependent(ANDD) and general nonquadratic(GNQ). The prediction of cubic EOSs was in sufficient agreement with experimental data and with overall AARD% of less than unity. In addition, PR plus ANDD proved to be the most accurate model in this study for prediction of hydrate equilibria with AARD% of 0.166.It was observed that the accuracy of cubic EOSs studied in this paper depends on mixing rule coupled with them,especially at high-pressure conditions. Lastly, the present study does not include any adjustable parameter to be correlated with hydrate phase equilibrium data.
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 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We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liquid state using the equation of state containing only two physical parameters such as the hard sphere diameter and binding energy. The temperature dependence of the structural properties and the thermodynamic behavior of the clusters are studied. Computations based on f predict the variation of numbers of particles at the contact point of the molecular cavity（radial distribution function）.From the thermodynamic profile of the fluid, the model results are discussed in terms of the cavity due to the closed surface along with suitable energy. The present calculation is based upon the sample thermodynamic data for n-hexanol, such as the ultrasonic wave, density, volume expansion coefficient, and ratio of specific heat in the liquid state, and it is consistent with the thermodynamic relations containing physical parameters such as size and energy. Since the data is restricted to n-hexanol, we avoid giving the physical meaning of f, which is the key parameter studied in the present work.
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.
文摘Based on the classical Roe method, we develop an interface capture method according to the general equation of state, and extend the single-fluid Roe method to the two-dimensional （2D） multi-fluid flows, as well as construct the continuous Roe matrix for the whole flow field. The interface capture equations and fluid dynamic conservative equations are coupled together and solved by using any high-resolution schemes that usually suit for the single-fluid flows. Some numerical examples are given to illustrate the solution of 1D and 2D multi-fluid Riemann problems.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11174045 and 11404050)
文摘The unreacted equation of state（EOS） of energetic materials is an important thermodynamic relationship to characterize their high pressure behaviors and has practical importance. The previous experimental and theoretical works on the equation of state of several energetic materials including nitromethane, 1,3,5-trinitrohexahydro-1,3,5-triazine（RDX）,1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane（HMX）, hexanitrostilbene（HNS）, hexanitrohexaazaisowurtzitane（HNIW or CL-20）, pentaerythritol tetranitrate（PETN）, 2,6-diamino-3,5-dinitropyrazine-1-oxide（LLM-105）, triamino-trinitrobenzene（TATB）, 1,1-diamino-2,2-dinitroethene（DADNE or FOX-7）, and trinitrotoluene（TNT） are reviewed in this paper. The EOS determined from hydrostatic and non-hydrostatic compressions are discussed and compared. The theoretical results based on ab initio calculations are summarized and compared with the experimental data.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11075037 and 11475045the Scientific Research Foundation for the Returned Overseas Chinese Scholars of the Ministry of Education of China+2 种基金the Fundamental Research Funds for the Central Universities of Chinathe Shanghai Leading Academic Discipline Project under Grant No B107the 'NewCompStar',COST Action MP1304
文摘The equation of state for nuclear matter is presented within the Brueckner Hartree-Fock （BHF） scheme, by using the realistic Argonne VI8 or Bonn B two-nucleon potentials plus their corresponding microscopic three-nucleon forces. It is then applied to calculate the properties of finite nuclei within a simple liquid-drop model, and we compare the calculated volume, surface, and Coulomb parameters with the empirical ones from the liquid drop model. Nuclear density distributions and charge radii in good agreement with the experimental data are obtained~ and we predict the neutron skin thickness of various nuclei.
基金the financial support from the National Natural Science Foundation of China(No.11902298)the National Key Research and Development Program of China(No.2017YFC0804701)。
文摘Thermodynamic calculation is the theoretical basis for the study of initiation and detonation,as well as the prerequisite for forecasting the detonation performance of unknown explosives.Based on the VLWR(Virial-Wu)thermodynamic code,this paper introduced the universal solid equation of state(EOS)VINET.In order to truly reflect the compressibility of nanocarbon under the extremely high-temperature and high-pressure environment in detonation,an SVM(support vector machine)was utilized to optimize the input parameters of carbon.The detonation performance of several explosives with different densities was calculated by the optimized universal EOS,and the results show that the thermodynamic code coupled with the universal solid EOS VINET can predict the detonation performance parameters of explosives well.To investigate the application of the thermodynamic code with the improved VINET EOS in the working capacity of explosives,the interrelationship between pressure P-particle velocity u and pressure P-volume V were computed for the detonation products of TNT and HMX-based PBX(HMX:binder:insensitive agent=95:4.3:0.7)in the CJ isentropic state.A universal curve proposed by Cooper was used to compared the computed isentropic state,where the ratio of pressure to CJ state were plotted against the ratio of velocity to CJ state.The parameters of the JWL(Jones-Wilkins-Lee)EOS for detonation products were obtained by fitting the P-V curve.The cylinder tests of TNT and HMX-based PBX were numerically simulated using the LS-DYNA,it is verified that,within a certain range,the improved algorithm has superiority in describing the working capacity of explosives.
文摘The present work uses the concept of a scaled particle along with the perturbation and variation approach, to develop an equation of state （EOS） for a mixture of hard sphere （HS）, Lennar-Jones （L J） fluids. A suitable flexible functional form for the radial distribution function G（R） is assumed for the mixture, with R as a variable. The function G（R） has an arbitrary parameter m and a different equation of state can be obtained with a suitable choice of m. For m = 0.75 and m = 0.83 results are close to molecular dynamics （MD） result for pure HS and LJ fluid respectively.
基金supported by the National Natural Science Foundation of China(Grant No.NSAF.U1330115)the National Major Scientific Instrument and Equipment Development Project of China(Grant No.2012YQ130234)
文摘This study presents high pressure phase transitions and equation of states of cerium under pressures up to 51 GPa at room temperature. The angle-dispersive x-ray diffraction experiments are carried out using a high energy synchrotron x-ray source. The bulk moduli of high pressure phases of cerium are calculated using the Birch-Mumaghan equation. We discuss and correct several previous controversial conclusions, which are caused by the measurement accuracy or personal explanation. The c/a axial ratio of e-Ce has a maximum value at about 29 GPa, i.e., c/a ≈ 1.690.
基金supported by the National Natural Science Foundation of China(Grant Nos.11474034 and 11675024)the Foundation for Development of Science and Technology of China Academy of Engineering Physics(Grant Nos.2015B0102020 and 2015B0102022)the Science Challenge Project(Grant No.TZ2016005)
文摘The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theoretical simulation,there is not any evidence of the ‘kink＇ in the Hugoniot curve in our accurate simulation. Throughout the shock compression process, only a simple solid-to-liquid melting behavior is demonstrated, instead of complicated solid–solid phase transitions. Moreover, the x-ray absorption near-edge spectroscopy has been predicted as a feasible way to diagnose the structural evolution of warm dense lithium in this density region.
文摘In this paper, we employ the concept of probability for creating a cavity with diameter d in fluid along with the perturbation and variation approach, and develop an equation of state （EOS） for a hard sphere （HS） and Lennard Jones （L J） fluids. A suitable axiomatic form for surface tension S（r） is assumed for the pure fluid, with r as a variable. The function S（r） has an arbitrary parameter rn. S（r） = A ＋ B（d/r）/[1 ＋ m（d/r）]. We use the condition in terms of radial distribution function G（λd,η） containing the self-consistent parameter λ and the condition of continuity at r = d/2 to determine A and B. A different EOS can be obtained with a suitable choice of rn and the EOS has a lower root-mean-square deviation than that of Barker-Henderson BH2 for LJ fluids.
基金supported by the Joint Foundation of National Natural Science Foundation of China and China Academy of Engineering Physics (Grant No 10476007)the Program for New Century Excellent Talents in University (Grant No NCET-05-0799)the Program for Excellent Talents of University of Electronic Science and Technology (Grant No 23601008)
文摘The thermodynamic properties of the ε phase of solid oxygen are studied by using the analytic mean field approach （AMFP）. Analytic expressions for the Helmholtz free energy, internal energy and equation of state of solid oxygen have been derived based on the multi-exponential potential. The formulism for the case of double-exponential （DE） model is applied to the ε phase of solid oxygen. Its four potential parameters are determined through fitting the experimental compression data of the ε phase of solid oxygen. Numerical results of the pressure dependence of the volume calculated by using the AMFP are in good agreement with the original experimental data. This suggests that the AMFP is a useful approach to study the thermodynamic properties of the ε phase of solid oxygen. Furthermore, we predict the variation of the volume, lattice parameters and intermolecular distances with pressure, and some thermodynamic quantities versus volume, at several higher temperatures.
文摘We present a simple method of obtaining various equations of state for hard sphere fluid in a simple unifying way. We will guess equations of state by using suitable axiomatic functional forms （n = 1, 2, 3, 4, 5） for surface tension Sn （r）, r≥ d/2 with intermolecular separation r as a variable, where m is an arbitrary real number （pole）. Among the equations of state obtained in this way are Percus-Yevick, scaled particle theory and Carnahan-Starling equations of state. In addition, we have found a simple equation of state for the hard sphere fluid in the region that represents the simulation data accurately. It is found that for both hard sphere fluids as well as Lennard-Jones fluids, with m = 3/4 the derived equation of state （EOS） gives results which are in good agreement with computer simulation results. Furthermore, this equation of state gives the Percus-Yevick （pressure） EOS for the m = 0, the Carnahan-Starling EOS for rn = 4/5, while for the value of m = 1 it corresponds to a scaled particle theory EOS.
基金supported by the National Key Research and Development Program of China (No. 2017YFA0402300)National Natural Science Foundation of China (Nos.11904293, 12064040 and 11874051)+2 种基金the Science and technology project of Gansu Province (No. 20JR5RA530)the Young Teachers Scientific Research Ability Promotion Plan of Northwest Normal University (No. NWNU-LKQN-18-32)the Funds for Innovative Fundamental Research Group Project of Gansu Province (No. 20JR5RA541).
文摘Based on the governing equations which include the heat conduction equation in the target and the fluid equations of the vapor plasma,a two-dimensional axisymmetric model for ns-laser ablation considering the Knudsen layer and plasma shielding effect is developed.The equations of state of the plasma are described by a real gas approximation,which divides the internal energy into the thermal energy of atoms,ions and electrons,ionization energy and the excitation energy of atoms and ions.The dynamic evolution of the silicon target and plasma during laser ablation is studied by using this model,and the distributions of the temperature,plasma density,Mach number related to the evaporation/condensation of the target surface,laser transmissivity as well as internal energy of the plasma are given.It is found that the evolution of the target surface during laser ablation can be divided into three stages:(1)the target surface temperature increases continuously;(2)the sonic and subsonic evaporation;and(3)the subsonic condensation.The result of the internal energy distribution indicates that the ionization and excitation energy plays an important role in the internal energy of the plasma during laser ablation.This model is suitable for the case that the temperature of the target surface is lower than the critical temperature.
基金Project supported by the Joint Fund of National Natural Science Foundation of China and China Academy of Engineering Physics(Grant No. 10876008)
文摘A simple equation of state （EOS） in wide ranges of pressure and temperature is constructed within the MieGruneisen Debye framework. Instead of the popular Birch-Murnaghan and Vinet EOS, we employ a five-parameter cold energy expression to represent the static EOS term, which can correctly produce cohesive energy without any spurious oscillations in the extreme compression and expansion regions, We developed a Pade approximation-based analytic Debye quasiharmonic model with high accuracy which improves the performance of EOS in the low temperature region. The anharmonic effect is taken into account by using a semi-empirical approach. Its reasonability is verified by the fact that the total thermal pressure tends to the lowest-order anharmonic expansion in the literature at low temperature, and tends to ideal-gas limitation at high temperature, which is physically correct. Besides, based on this approach, the anharmonic thermal pressure can be expressed in the Griineisen form, which is convenient for applications. The proposed EOS is used to study the thermodynamic properties of MgO including static and shock compression conditions, and the results are very satisfactory as compared with the experimental data.
