Experimental study on the size effect on the equation of state of concretes under shock loading

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.

Extension of Tao-Mason Equation of State to Heavy n-Alkanes

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.

Basic quantities of the equation of state in isospin asymmetric nuclear matter

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))

Validation for equation of state in wide regime:Copper as prototype

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.

Representation of Phase Behavior of Ionic Liquids Using the Equation of State for Square-well Chain Fluids with Variable Range

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.

A compositional model for CO_(2) ooding including CO_(2) equilibria between water and oil using the Peng–Robinson equation of state with the Wong–Sandler mixing rule

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.

A Modification of α in SRK Equation of State and Vapor-Liquid Equilibria Prediction

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.

Friedmann Cosmology with a Generalized Equation of State and Bulk Viscosity

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-Ⅲ singularity as presented in IS. Nojiri, S.D. Odintsov, and S. Tsujikawa, Phys. Rev. D 71 （2005） 063004].

Improvement on the Carnahan-Starling Equation of State for Hard-sphere Fluids

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.

A New Alpha-function for the Peng-Robinson Equation of State： Application to Natural Gas

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.

Derivation of Martin-Hou Equation of State from Hard-particle Perturbation Theory

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.

Thermal equation of state for lattice Boltzmann gases

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.

Modeling of Surface Tension and Viscosity for Non-electrolyte Systems by Means of the Equation of State for Square-well Chain Fluids with Variable Interaction Range

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.

Modeling VLE and GLE of Systems Involving Polymers by Using SRK Equation of State

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.

Analysis and Comparison of the Alpha Functions of SRK Equation of State

Alpha functions of Soave-Redlich-Kwong （SRK） equation of state proposed by Soave, Twu, and Luo were different in mathematic tendency. They were compared in modeling methane-alkanes equilibria with van der Waals mixing rule and Modified Huron-Vidal （MHV1） mixing rule, respectively. Results showed that Luo＇s alpha function was a little more accurate than Soave＇s, and Twu＇s alpha function lacked accuracy in modeling methane-alkanes equilibrium. SRK equation of state was expanded as virial form, and then the equivalent terms were contrasted with terms of virial equation of state. Results showed that Soave＇s and Luo＇s alpha functions matched the tendency of virial coefficient better than Twu＇s, and Luo＇s alpha function matched better than Soave＇s in wide temperature range, which sustained the conclusions of phase equilibria calculation. Luo＇s alpha function keeps decreasing when Tr〉 1 and becomes negative at sufficient high temperature, thus the conventional cubic equation of state expressed pressure as the sum of repulsion pressure PR （〉0）, and attraction pressure PA （〈0） could be improved to be the sum of hard-sphere repulsion pressure PH （〉0） and intermolecular force pressure P1 （P1〈0 at low temperature and p1〉0 at sufficient high temperature）.

EQUATION OF STATE CALCULATIONS FOR HOT, DENSE MATTER AT ARBITRARY DENSITIES AND TEMPERATURES

Within the approximations of spherical lattice cell, central-field, and relativistic Fermi statis- tics, an algorithm with average atom model is presented to calculate the electronic energy levels and equation of state for hot and dense matter at arbitrary densities and temperatures. Choosing Zink's analytical potential as initial potential, we have solved the Dirac-Slater equation which satisfies the Weigner-Seitz boundary condition. The electronic energy bands are not taken into account. Tak- ing energy level degeneracy as a continuous function of density, we have considered the pressure ionization effects for highly dense matter. Results for ^(13)Al atom are shown.

Numerical method of the Riemann problem for two-dimensional multi-fluid flows with general equation of state

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.

A New General Equation of State

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.

Thermal equation of state of a natural kyanite up to 8.55 GPa and 1273 K

The thermal equation of state of a natural kyanite has been investigated with a DIA-type,cubic-anvil apparatus(SAM85)combined with an energy-dispersive synchrotron X-ray radiation technique up to 8.55 GPa and 1273 K.No phase transition was observed in the studied pressure-temperature(P-T)range.The Le Bail full profile refinement technique was used to derive the unit-cell parameters.By fixing the bulk modulus K 0 as 196 GPa and its pressure derivative K0 as 4,our P-V(volume)-T data were fitted to the high temperature BircheMurnaghan equation of state.The obtained parameters for the kyanite are:V_(0)=294.05(9)Å^(3),a=2.53(11)×10^(-5)K^(-1) and(K/T)P=-0.021(8)GPa∙K^(-1).These parameters have been combined with other experimentally-measured thermodynamic data for the relevant phases to calculate the P-T locus of the reaction kyanite¼stishoviteþcorundum.With this thermodynamically constrained phase boundary,previous high-pressure phase equi-librium experimental studies with the multi-anvil press have been evaluated.

Coupled thermo-hydro-mechanical simulation of CO2 enhanced gas recovery with an extended equation of state module for TOUGH2MP-FLAC3D

As one of the most important ways to reduce the greenhouse gas emission,carbon dioxide（CO2）enhanced gas recovery（CO2-EGR） is attractive since the gas recovery can be enhanced simultaneously with CO2sequestration.Based on the existing equation of state（EOS） module of TOUGH2 MP,extEOS7C is developed to calculate the phase partition of H2O-CO2-CH4-NaCl mixtures accurately with consideration of dissolved NaCI and brine properties at high pressure and temperature conditions.Verifications show that it can be applied up to the pressure of 100 MPa and temperature of 150℃.The module was implemented in the linked simulator TOUGH2MP-FLAC3 D for the coupled hydro-mechanical simulations.A simplified three-dimensional（3D）1/4 model（2.2 km×1 km×1 km） which consists of the whole reservoir,caprock and baserock was generated based on the geological conditions of a gas field in the North German Basin.The simulation results show that,under an injection rate of 200,000 t/yr and production rate of 200,000 sm3/d,CO2breakthrough occurred in the case with the initial reservoir pressure of 5 MPa but did not occur in the case of 42 MPa.Under low pressure conditions,the pressure driven horizontal transport is the dominant process;while under high pressure conditions,the density driven vertical flow is dominant.Under the considered conditions,the CO2-EGR caused only small pressure changes.The largest pore pressure increase（2 MPa） and uplift（7 mm） occurred at the caprock bottom induced by only CO2injection.The caprock had still the primary stress state and its integrity was not affected.The formation water salinity and temperature variations of ±20℃ had small influences on the CO2-EGR process.In order to slow down the breakthrough,it is suggested that CO2-EGR should be carried out before the reservoir pressure drops below the critical pressure of CO2.