Unreacted equation of states of typical energetic materials under static compression:A review

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.

The formation bulk density prediction for intact and fractured siliciclastic rocks

The formation bulk density is one of the most important rock properties required for reservoir evaluation and geomechanical analysis.In intervals where the formation bulk density logs are not acquired,the industry practice is to estimate the formation bulk density from the compressional-wave velocity using empirical relationships.The major problems with the existing empirical relationships are:(1)they were developed primarily for specific lithologies(in most cases clean formations)and have failed to produce reasonable estimates when applied over a lithological column that consists of several stratigraphic units;(2)they are not applicable to rocks that contain microcracks/fractures.In this paper,a new formation bulk density prediction method that can be applied to a wide range of intact and fractured siliciclastic rocks is being proposed based on experimental data.The model is then validated using wireline log data acquired from an onshore well in the tertiary deltaic system of the Niger Delta basin.In the new model,the formation bulk density is expressed as a function of sonic velocity difference and shale volume factor.In general,an excellent agreement exists between the predicted and measured formation bulk density using the new technique.The statistical analysis shows that the new formation bulk density prediction model outperforms the most widely used empirical relationships with the least-root-mean square errors and least residual values.

Relationship between single and bulk mechanical properties for zeolite ZSM5 spray-dried particles

In this work typical mechanical properties for a catalyst support material, ZSM5 （a spray-dried granular zeolite）, have been measured in order to relate the bulk behaviour of the powder material to the single particle mechanical properties. Particle shape and size distribution of the powders, determined by laser diffraction and scanning electron microscopy （SEM）, confirmed the spherical shape of the spray-dried particles. The excellent flowability of the material was assessed by typical methods such as the Hausner ratio and the Cart index, This was confirmed by bulk measurements of the particle-particle internal friction parameter and flow function using a Schulze shear cell, which also illustrated the low compressibility of the material. Single particle compression was used to characterize single particle mechanical properties such as reduced elastic modulus and strength from Hertz contact mechanics theory. Comparison with surface properties obtained from nanoindentation suggests heterogeneity, the surface being harder than the core. In order to evaluate the relationship between single particle mechanical properties and bulk compression behaviour, uniaxial confined compression was carried out. It was determined that the Adams model was suitable for describing the bulk compression and furthermore that the Adams model parameter, apparent strength of single particles, was in good agreement with the single particle strength determined from single particle compression test.

Compressibility and Structural Properties of Jadeite, NaAlSi_2O_6 at High Pressure

The structural properties of jadeite at high pressures （0.000 1-30 GPa） are investigated using plane-wave pseudopotential density functional theory method. As a function of pressure, the monoclinic cell parameters were calculated and the compressibility coefficients are 0.002 6, 0.002 3 and 0.002 6 GPal, respectively. The bond length, bond angle and distortion variation were studied in order to obtain the information of polyhedral compression. The pressure-volume equation of state was con- sidered in order to obtain the bulk modulus K0. Comparison between the calculated K0 values and the experimental data suggested that the model provides reasonable insights into crystallographic and physical properties of jadeite.