Decomposition of Solutions in Front of the Interface Induced by Directional Crystallization

Here we show the results of experimental observation of decomposition of the solution components into the neighboring cells. The liquid solution under crystallization first gets into the unstable state and then decomposes. The decomposition result is fixed in the solid phase as inhomogeneous component distribution. Our experimental results enable to argue that the eutectic pattern forms due to interface instability and spinodal decomposition of non-equilibrium solution forming in front of the interface.

Syntheses,Crystal Structures and Kinetic Mechanisms of Thermal Decomposition of Rare Earth Complexes with Schiff Base Derived from o-Vanillin and p-Toluidine

Three complexes, [Pr（NO3）3（HL）2] （1）, [Nd（NO3）3（HL）2] （2） and [Er（NO3）3（HL）2] ·0.5H2O （3）, were synthesized from the reaction of a Schiff base ligand 2-[ （4-methylphenylimino）methyl ]-6-methoxyphenol （C15 H15 NO2, HL） with Ln（NO3）3·6H2O （Ln = Pr, Nd, Er）. Characterization by single-crystal X-ray diffraction technique, elemental analysis, molar conductance, FT-IR, UV-Vis, ^1H NMR and thermal analysis shows the title complexes are neutral molecules where the central Ln（ Ⅲ） ion is ten-coordinated in biapical anti-hexahedron prism geometry, with four oxygen atoms of the phenolic hydroxy and methoxy groups in the two bidentate Schiff base ligands and six oxygen atoms provided by the three bidentate NO3 - anions. Additionally, the kinetic mechanism of thermal decomposition of complex 3 was determined with a TG-DTG curves by both integral and differential methods. The functions of thermal decomposition reaction mechanism and the equation of kinetic compensation effect were obtained.

Crystal lattice free volume and thermal decomposition of nitramines

The linear, directly proportional, equations between the Arrhenius parameters(E_α, and log A) of the thermal decomposition and the crystal lattice free space per molecule, △V, of 22 nitramines are described. It is shown that, because of a significant limitation by the molecular structural characteristics of such compounds, they are divided into a number of partial relationships. These partial relationships divide the nitramines into a group of substances relating to dimethyl nitramine and a sub-group related to e-HNIW. These directly proportional equations mean that an increase in the △Vvalues is related to an increase in the thermal stability of the corresponding nitramines. A comparison with similar published dependencies for the impact and friction sensitivities, on the one hand, and with the relationship between the E_a values and the sum of the negative and positive extremes of molecular surface electrostatic potentials, on the other, confirms the well-known fact that intermolecular interaction in the nitramines studied plays a decisive role in the thermal reactivity of such compounds. The crystal lattice free space manifests itself here perhaps only in the solid state thermal decomposition of RDX, HMX and DINGU. This study again confirms a level of disorder in the distribution of the forces in the crystal lattice of the"common" quality of e-HNIW,compared with its "reduced sensitivity(RS)" or pure analogues.

Preparation,Crystal Structure,Thermal Decomposition and Explosive Properties of K_2(tza)_2(H_2O) (tza=Tetrazole-1-acetic Acid)

A new energetic compound based on the tetrazole-1-acetic acid （tza） and potassium（I） salt, K2（tza）2（H2O）, was synthesized and characterized by elemental analysis and FT-IR spectrum. Its crystal structure was determined by single-crystal X-ray diffraction analysis. The results show that the crystal belongs to the orthorhombic system, space group Pna21 with a = 1.11972（17） nm, b = 0.46647（7） nm, c = 2.5158（4） nm, V = 1.3140（3） nm3, K2C6H8N8O5, Mr = 350.40 g·mol-1, Dc = 1.771 g·cm^-3, μ（MoKα） = 0.759 mm^-1, F（000） = 712, Z = 4, R = 0.023 and wR = 0.0527 for 2961 observed reflections （I 〉 2σ（I））. The K（I） cation is six-coordinated with four O atoms from three carboxylate groups, one O atom from one H2O molecule and one N atom from tetrazolyl ring, in which each tza is coordinated in a tridentate chelating bridging coordination mode. The thermal decomposition mechanism of the title complex was studied by DSC and TG-DTG techniques. Under nitrogen atmosphere at a heating rate of 10 K·min-1, the thermal decomposition of the complex contains one main exothermic process between 191.7 and 243.8 ℃ in the DSC curve. Its combustion heat was mensurated by oxygen bomb calorimetry. The non-isothermal kinetics parameters were calculated by the Kissinger＇s method and Ozawa-Doyle＇s method, respectively. The sensitivity properties of K2（tza）2（H2O） were also determined with standard methods, which was very sensitive to flame.

Synthesis,Crystal Structure and Thermal Decomposition of a New Energetic Potassium Salt of Bis(dinitromethyl)difurazanyl Ether

A new energetic organic potassium salt bis（dinitromethyl）difurazanyl ether potas- sium salt [K2（BDFE）] was synthesized, and structurally characterized by elemental analysis, IR spectra, t3C NMR and single-crystal X-ray diffraction. K2（BDFE） crystallizes in monoclinic system, space group C2/c with a = 17.342（3）, b = 12.6943（17）, c = 8.0972（11） A, β = 110.630（2）°, V = 1668.3（4） A3, Z = 4, Dc = 2.000 g/cm3, F（000） = 1000,μ= 0.675 mm-1, S = 1.058, the final R = 0.0499 and wR = 0.1452. The K ion is eight-coordinated with eight O atoms from one water molecule and four bis（dinitromethyl）difurazanyl ethers （BDFE）, forming a distorted dodecahedral structure. Thermal decomposition of the title complex was studied by using DSC and TG-DTG. There are primarily two exothermic decomposition processes between 200 and 370 ℃.

Synthesis,Crystal Structure, Thermal Decomposition and Sensitivity Properties of (AIM)(HTNR) and (AIM)(PA)

Two new energetic compounds （AIM）（HTNR） and （AIM）（PA）（AIM=2-azidoimidazole, TNR=2,4,6-trini troresorcinol, PA=picric acid） have been prepared by AIM（2-azidoimidazolium） and TNR（2,4,6-trinitroresorcinol） or PA（picric acid） and characterized by elemental analysis and FTIR spectrum. Their crystal structures were determined by X-ray single-crystal diffraction analysis. The obtained results show that （AIM）（HTNR） crystal belongs to monoc linic, P21/c space group, a=1.1306（2） nm, b=0.70305（14） nm, c=1.7398（4） nm, β=106.91°, V=1.3231（5） nm3, Dc=1.778 g/cm3, Z=4, R1=0.0524, wR2[I 〉2σ（I）]=0.1067 and S=1.092 and （AIM）（PA） crystal belongs to monoclinic P21/c space group, a=0.80303（16） nm, b=0.81395（16） nm, c=2.0471（4） nm, β=93.93（3）°, V=1.3349（5） nm3, Dc=1.683 g/cm3, Z=4, R1=0.0784, wR2[I〉2σ（I）]=0.1814 and S=1.098. Both the compounds have electrostatic attraction and hy drogen bonds, which contribute to making the constructions more stable. The decomposition of the two compounds was studied via differential scanning calorimetry（DSC） and thermogravimetry-derivative thermogravimetry（TG-DTG） techniques at a heating rate of 10 oC/min, and the results show that both the compounds underwent one intensive exothermic decomposition stage. Sensitivity tests reveal that the title compounds were insensitive to friction and im pact and sensitive to flame and could be applied in potential pyrotechnics.

Synthesis, Crystal Structure and Kinetic Mechanism of Thermal Decomposition of a Zinc(II) Complex with N-Salicylidene-p-toluidine

The title complex, Zn（C24H13NO）2Cl21, has been synthesized by the reaction of zinc chloride with Schiff base ligand N-salicylidene-p-toluidine and its structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group Cc with a = 14.896（3）, b = 12.506（2）, c = 15.352（3） A,β = 114.711 （4）°, V = 2598.0（8） A^3, C28H26ZnCl2N2O2, Mr = 558.80, Z = 4, Dc = 1 .429 g/cm^3,μ = 1.179 mm^-1, Flack parameter = 0.027（19）, F（000） = 1152, R = 0.0709 and wR = 0.1041 for 3117 observed reflections （Ⅰ 〉 2σ（Ⅰ））. In complex 1, the center Zn ion is four-coordinated by two O atoms from two Schiff base ligands and two Cl atoms in a distorted tetrahedral geometry. Additionally, the thermal decomposition of complex 1 as well as its kinetic mechanisms and equations is studied under the non-isothermal integral and differential methods in air by TG-DTG curves.

A New Nickel(Ⅱ) Coordination Compound Constructed by Pyridyl-triazole and Oxybis(Benzoic Acid): Synthesis,Crystal Structure and the Effect on the Thermal Decomposition of Ammonium Perchlorate

A new energetic complex, Ni（3,4＇-Hbpt）2（Hoba）2（H20）2 （3,4＇-Hbpt = 3-（3-pyridyl）- 5-（4＇-pyridyl）-l-H-l,2,4-triazole and H2oba = 4,4＇-oxybis（benzoic acid））, has been synthesized by hydrothermal reaction and characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, thermogravimetric analyses and X-ray powder diffraction. Single-crystal X-ray diffraction analysis indicates that the complex belongs to the monoclinic system, space group P2j/c with a = 10.2357（9）, b = 24.594（2）, c = 10.4225（9）/k, β = 114.0110（10）°, V = 2396.7（4） A3, Dc = 1.460 g/cm3,μ = 0.482 mm-1, Mr = 1053.63, F（000） = 1088, Z = 2, the final R = 0.0358 and wR = 0.0973 with I 〉 2σ（I）. Both 3,4＇-Hbpt and H2oba ligands adopt monodentate modes linking one Ni（II） ion to form a 0D motif. Furthermore, the 0D motifs are linked into a 3D supramolecular architecture with hydrogen bonds. In addition, the catalytic performance for thermal decomposition of the efficacy of ammonium perchlorate （AP） is explored by differential scanning calorimetry （DSC）, which indicates that the complex is a good candidate for a promoter of the thermal decomposition of ammonium perchlorate.

Synthesis,Crystal Structure,Thermal Decomposition and Sensitive Properties of a New Complex [Cu(IMI)_4](PA)_2

A new coordination complex [Cu（IMI）4]（PA）2 had been synthesized with imidazole（IMI） as ligands and picrate（PA-） groups as outer anions,and characterized by Fourier transform infrared（FTIR） spectrum and elemental analysis.Its crystal structure was determined by single crystal X-ray diffraction（XRD） analysis.The crystallographic data show that the crystal belongs to monoclinic,C2/c space group,a=2.542（5） nm,b=0.91773（18） nm,c=1.3778（3） nm,β=107.854（3）° and Z=4.Furthermore,the central copper（II） ion is coordinated by four N atoms from four imidazole ligands.All the molecular units are linked into a zigzag pattern along a-axis by the hydrogen bonds,and extended to the distance regularly.Thermal decomposition mechanisms were determined based on differential scanning calorimetry（DSC） and thermogravimetry-differential thermogravimetry（TG-DTG） analysis,and kinetic parameters of the first exothermic process were studied using Kissinger＇s and Ozawa-Doyle＇s method,respectively.Sensitivity tests show that the title complex has low sensitivity to external stimulus,but it has a higher energy of combustion of 14.2 kJ/g due to which it may be used as the additives of energetic materials to improve the explosive performance.

Decomposition of gaseous CF_2CIBr by cold plasma method

The paper presented the results regarding the decomposition of gaseous CF_2ClB_r by cold plasma method.After two minutes discharge,the maximum decomposition rate of 2660 Pa CF_2ClB_r pure and 2660 Pa CF_2ClBr plus 7980 Pa O_2 reached 60% and 80%,respectively.The pa- per also studied the cold plasma gas phase chemistry reaction mechanism of CF_2ClBr at low pres- sure,and the pressure effects of CF_2ClBr and added gas(He,N_2,O_2 and dry air)on the CF_2ClBr decomposition respectively by cold plasma method.These studies will be helpful to application of cold plasma method in the treatment of hazardous gaseous wastes.

Use of online electrical conductivity meter to monitor cold decomposition of carnallite

Online control of the ratio of carnallite to water is a key to achieve a fully continuous and automatic potash produc tion. By monitoring carnallite cold decomposition process using online conductivity meter, the relationship between the conduc tivity and the control parameters was analyzed based on the data collected online. The results show that the conductivity regu larly varies with a general trend of decrease after an initial increase when the ratio of mineral to water is adjusted. There are certain rules satisfying cubic polynomial regression equation. When the ratio of mineral to water is larger than 0. 6, with the a mount of carnallite increased by 10%, the conductivity decreases by 0. 28%-0. 45% accordingly and the relative deviation is less than 0. 5%. The value of electrical conductivity has stabilized when the density of liquid increased to 1.27 g/cm3, namely, the solution reaches saturation. It has proved that the methods can be employed for online monitoring the ratio of carnallite to water during carnallite cold decomposition and the precise control has an important value for reference and application.

Decomposition Temperature of Cold Seep Carbonate and its Relationship with Delta Carbonate

Delta carbonate （Delta C, AC） method is a commonly- used surface geochemical exploration method for petroleum surveys. Delta C holds that light hydrocarbon gases leak into near-surface soils or sediments from underlying petroleum accumulations, then partly oxidized to CO2, resulting in a special carbonate precipitation, which is termed as Delta carbonate （△C）.

Crystal Structure and Thermal Decomposition Kinetics of 3-Nitro-4-diazo-5-oxygenpyrazole

A novel compound 3-nitro-4-diazo-5-oxypyrazole was synthesized by the nitration of 4-amino-3,5-dinitropyrazole using nitrification agents of fuming nitric acid and trifluoroacetic anhydride. The compound was purified by column chromatography and characterized by IR, NMR, MS and elemental analysis. Two different single crystals obtained by culturing with ethyl acetate as a solvent were measured by X-ray single-crystal diffractometer. The molecular weight of C3HN5O3 is 155.09 and the two crystals belong to monoclinic system, space groups P21/n and P21/c. For 1： a = 5.5007（2）, b = 9.0691（4）, c = 11.4158（4） A, β = 92.710°, V = 568.85 A3, Z = 4, Dc = 1.811 g/cm3, μ = 0.162 mm-1, F（000） = 312 and the final deviation factor is 0.0213. Crystals 1 and 2 have similar unit cell parameters, except that a = 10.1828（12）, b = 5.5925（6）, c = 10.5574（10） A and β = 108.330（4）° in crystal 2. The thermal behavior of the compound was studied by TG-DSC and melting endothermic peak and decomposition exothermic peak are at 425.7 and 534.5 K in DSC curve. The activation energy and pre-exponential factor of the exothermic decomposition reaction of the title compound obtained by Kissinger method and Flynn-Wall-Ozawa method are 50.38 k J/mol, 4.59 × 1022 s^（-1） and 55.89 k J/mol.

Crystal structure and thermal decomposition kinetics of1-(pyridinium-1-yl)propane-(1-methylpiperidinium)bi[bis(trifluoromethanesulfonyl)imide], [PyC_3Pi][NTf_2]_2

The structure of a room temperature asymmetrical dicationic ionic liquid （ADIL）, 1-（pyridinium-l-yl） propane- （1-methylpiperidinium） bi[bis（tfifluoromethanesulfonyl）imide] （[PyC3Pi][NTf2]2）, was studied by the X-ray difo fraction method. Meanwhile, thermal analysis of [PyC3Pi][NTf2]2 was also studied using non-isothermal thermo- gravimetric analysis （TGA）. The title crystal belongs to the triclinic with space group Pi and unit-cell parameters a ： 0.95217 （8） nm, b = 1.05129 （11 ） nm, c = 1.70523 （14） nm, ct = 89,759 （8）°,β = 80.657 （7）°, γ=68.007 （9）°, and F（000） = 792. Thermal stability and thermal decomposition kinetics of the title compound were also investigated using TGA under the atmosphere of highly pure nitrogen. Heating curves at different rates were cor- related with kinetic equations Friedman and ASTM （also called iso-conversion method）. The values of average activation E （kJ·mol^-1 ） and pre-exponential constant lgA are 149.58 kJ. mol- 1 and 8.83, respectively, which were obtained by the two methods. The kinetic model function, activation energy and pre-exponential constant of this reaction using the multivariate non-linear-regression method were f（a） = （1 -a）（1 ＋ 4.1870a）, 151.04 kJ·mol^-1 and 8.81, respectively, which were basically consistent with iso-conversion methods.

Deformation mechanism of cold ring rolling in view of texture evolution predicted by a newly proposed polycrystal plasticity model

An explicit polycrystal plasticity model was proposed to investigate the deformation mechanism of cold ring rolling in view of texture evolution. The model was created by deducing a set of linear incremental controlling equations within the framework of crystal plasticity theory. It was directly solved by a linear algorithm within a two-level procedure so that its efficiency and stability were guaranteed. A subroutine VUMAT for ABAQUS/Explicit was developed to combine this model with the 3D FE model of cold ring rolling. Results indicate that the model is reliable in predictions of stress-strain response and texture evolution in the dynamic complicated forming process; the shear strain in RD of the ring is the critical deformation mode according to the sharp Goss component （{110}？100？） of deformed ring; texture and crystallographic structure of the ring blank do not affect texture type of the deformed ring;texture evolves rapidly at the later stage of rolling, which results in a dramatically increasing deformation of the ring.

Effect of heat treatment on microstructure and properties of single crystal copper cold-welded joints

With the means of electron backscattered diffraction(EBSD),mechanical properties test and digital eddy current metal conductivity,the single crystal copper cold-welded joint was tested and analyzed,the structure change of cold-welded joint and the effect of heat treating on the structure and property of cold-welded joint were discussed.The results show that:The deformation area of the single crystal copper cold welded joint is broken,the crystalline grain at the interface of the joint is refined,and the single crystal structure is still maintained in the base metal area.The hardness of the deformation area increases greatly,the conductivity of the joint does not change much,and the tensile strength of the joint reaches about 70%of that of the base metal.At the interface of the heat treating joint,the single crystal structure of the deformation area and the base metal area are destroyed,and the grains grow up at the interface and the orientation is different.The hardness of the joint interface is much lower than that of the non-heat treating joint,the electrical conductivity of the joint is good,and the tensile strength of the joint is higher than that of the base metal.

Low-temperature Properties of Biodiesel:Rheological Behavior and Crystallization Morphology

A soybean oil derived biodiesel was prepared and blended with a conventional No. 0 petrodiesel. The pour points （PP） and the cold filter plugging points （CFPP） of biodiesel blends were evaluated on a low-temperature flow tester. Dynamic viscosities of the blends at different temperatures and different shear rates were measured on a rotary rheometer. The crystal morphologies of biodiesel blends at low temperatures were analyzed using a polarizing microscope. The results indicated that blended fuels demonstrated slight decrease in PPs and CFPPs as compared with those of neat soybean oil derived biodiesel and pure petrodiesel. Below the temperatures of PPs or CFPPs, the dynamic viscosity of biodiesel blends dramatically increased with a decreasing temperature, but decreased with an increasing shear rate, so that biodiesel blends exhibited non-Newtonian behavior. At temperatures higher than PPs or CFPPs, a linear relationship appeared between the dynamic viscosity and shear rate and biodiesel blends became Newtonian fluids. At low temperatures, wax crystals of biodiesel blends grew and agglomerated rapidly. Loss of fluidity for biodiesel blends at low temperatures could therefore be attributed on one hand to the sharp increase of viscosity and on the other hand to the rapid growth and agglomeration of wax crystals.

Cold Fusion Based on Matter-Antimatter Plasma Formed in Molecular Crystals

The main purpose of this work is to shed light on the possibility of producing huge amount of energy based on the construction matter-antimatter plasma in a molecular crystal. It is assumed that two beams of isothermal hydrogen and antihydrogen are injected into a palladium crystal leading to a plasma state composed of particles and antiparticles. The collapse of this state releases a huge amount of energy which can be used as fuel for space shuttles. Thus, the novel system of isothermal pressure interaction enhances the energy power carried out by the quantum ion acoustic soliton (QIAS). In addition to the energy power released from the particle-antiparticle annihilation. The probability of merging the energy from these two cases is available at certain condition. The released energy may be a significant step in solving the energy scape of Tokomak to produce fusion energy. The study starting from the one-dimensional quantum hydrodynamic model (in which the term of electron-positron and proton-antiproton for hydrogen-antihydrogen is included), a Korteweg de Vries equation (kdv) is derived, the QIAS energy experiences and the annihilation energy power are calculated. It is found that the total energy of QIAS and the energy resulting from hydrogen-antihydrogen annihilation are important step towards the establishment of a cold fusion power station.

High-pressure-activated carbon tetrachloride decomposition

The pressure-induced molecular dissociation as one of the fundamental problems in physical sciences has aroused many theoretical and experimental studies. Here, using a newly developed particle swarm optimization algorithm, we investigate the high-pressure-induced molecular dissociation. The results show that the carbon tetrachloride （CC14） is unstable and dissociates into C2C16 and C12 under approximately 120 GPa and more. The dissociation is confirmed by the lattice dynamic calculations and electronic structure of the Pa3 structure with pressure evolution. The dissociation pressure is far larger than that in the case of high temperature, indicating that the temperature effectively reduces the activation barrier of the dissociation reaction of CC14. This research improves the understanding of the dissociation reactions of CC14 and other halogen compounds under high pressures.

Preparation by a Rheological Phase Reaction Method and Thermal Decomposition Reaction Mechanism of Nickelous Salicylate Tetrahydrate

The single crystal nickel salicylate tetrahydrate was prepared with the rheological phase reaction method from nickelous hydroxide and salicylic acid. The crystal structure was determined. It is monoclinic, space group P2 1/n, a= 0.678 74 (3), b=0.515 91(2), c =2.313 30(9) nm, β= 90.928 6(17)° , V =0.809 94(6) nm 3, Z=2, ρ calcd = 1.661 g\5cm -3 . Final R indices: R =0.027 9 and wR= 0.065 0 \[I >2σ(I)\]. The thermal decomposition mechanism in an inert atmosphere was investigated via TG, DTG and DTA. The thermal decomposition products were characterized with IR and micro\|powder X\|ray diffraction method. A new coordination polymer (NiC 6 H 4 O) n as an intermediate product and nanoscale metal nickel were obtained in the ranges of 364\|429 ℃ and 429\|680 ℃, respectively.