Theoretical Study on Mechanism and Kinetics of Reaction of O（^3p） with Propane

The reaction of C3H8＋O（^3p）→C3HT＋OH is investigated using ab initio calculation and dynamical methods. Electronic structure calculations for all stationary points are obtained using a dual-level strategy. The geometry optimization is performed using the unrestricted second-order Moller-Plesset perturbation method and the single-point energy is computed us- ing the coupled-cluster singles and doubles augmented by a perturbative treatment of triple excitations method. Results indicate that the main reaction channel is C3Hs＋O（^3p）→i- C3HT＋OH. Based upon the ab initio data, thermal rate constants are calculated using the variational transition state theory method with the temperature ranging from 298 K to 1000 K. These calculated rate constants are in better agreement with experiments than those reported in previous theoretical studies, and the branching ratios of the reaction are also calculated in the present work. Furthermore, the isotope effects of the title reaction are calculated and discussed. The present work reveals the reaction mechanism of hydrogenabstraction from propane involving reaction channel competitions is helpful for the understanding of propane combustion.

Pore structure of unidirectional solidified lotus-type porous silicon

Lotus-type porous silicon with elongated pores was fabricated by unidirectional solidification under pressurized hydrogen. Porosity, pore diameter, and pore length can be adjusted by changing solidification speed and hydrogen pressure. The porosity of the ingot is nearly constant under different solidification speeds, but decreases with the increase of hydrogen pressure. The overall porosities of ingots fabricated at different hydrogen pressures were evaluated through a theoretical model. Findings are in good agreement with experimental values. The average pore diameter and pore length increase simultaneously while the average pore aspect ratio changes slightly with the decreases of solidification speed and hydrogen pressure. The average pore length is raised from 7 to 24 mm and the pore aspect ratio is raised from 8 to 20 respectively with the average pore diameter promoted by about 0.3 mm through improving the superheat degree of the melt from 200 to 300 K.

Investigation of non-isothermal and isothermal gasification process of coal char using different kinetic model

Isothermal and non-isothermal gasification kinetics of coal char were investigated by using thermogravimetric analysis(TGA) in CO2 atmosphere, and the experimental data were interpreted with the aids of random pore model(RPM), unreacted shrinking core model(URCM) and volume model(VM). With the increase of heating rate, gasification curve moves into high temperature zone and peak rate of gasification increases; with the increase of gasification temperature, gasification rate increases and the total time of gasification is shortened. The increase of both heating rate and gasification temperature could improve gasification process of coal char. Kinetics analysis indicates that experimental data agree better with the RPM than with the other two models. The apparent activation energy of non-isothermal and isothermal gasification of coal char using RPM is 193.9 k J/mol and 212.6 k J/mol respectively, which are in accordance with reported data. Gasification process of coal char under different heating rates and different temperatures are predicted by the RPM derived in this study, and it is found that the RPM predicts the reaction process satisfactorily.

Pyrolysis characteristics of rubber compositions in medical waste

Thermogravimetric study of rubber compositions （operating glove and catheter） in medical waste was carried out using the thermogravimetric analyser （TGA）,at the heating rate of 20 ℃/min in a stream of N2.The results indicate that the decomposition process of operating glove appears an obvious mass loss stage at 250-485 ℃,while catheter has two obvious stages at 240-510 ℃ and 655-800 ℃,respectively; both samples present endothermic pyrolysis reaction; the decomposition of operating glove and the first mass loss stage of catheter are in agreement with natural rubber pyrolysis; the second mass loss stage of catheter corresponds to CaCO3 decomposition.Based on the experimental results,a novel two-step four-reaction model was established to simulate the whole continuous processes,which could more satisfactorily describe and predict the pyrolysis processes of rubber compositions,being more mechanistic and conveniently serving for the engineering.

Spectral Transmittance of Di-methyl Silicon Oil as a Heat Transfer Material for Concentrator Solar Cells

The accelerated life test was carded out to investigate the change of spectral transmittance of di-methyl silicon oil and the effects on the electrical performance of silicon solar cell. The di-methyl silicon oil samples be- fore and after accelerated life test were analyzed by FT-IR, GC-MS and LC-MS. The ring compounds and linear compounds with larger molecular weight were detected. The spectral transmittance of di-methyl silicon oil de- creased because the chromophore and auxochrome of the products made a sunlight receive decrease on the surface of the solar celt, and resulted in the reduction of cell performance. According to the decrease of spectral transmit- tance of di-methyl silicon oil, two recovery methods were proposed. The results showed that extraction was supe- rior to vacuum distillation in recovering the aged di-methyl silicon oil.

Influence of heating rate on reactivity and surface chemistry of chars derived from pyrolysis of two Chinese low rank coals

A series of char samples were derived from pyrolysis of two typical low-rank coals in China （Shengli lig- nite and Shenmu bituminous coal） at low, medium and fast heating rates, respectively, to the same pyrol- ysis temperature 750℃. Then these chars were characterized by means of thermogravimetric analysis and Fourier transform infrared spectrometer with the aim to investigate the influence of heating rate in pyrolysis process on gasification reactivity and surface chemistry of them. Besides, a homogeneous model was used to quantitatively analyze the activation energy of gasification reaction. The results reveal that Shengli lignite and its derived chars behave higher gasification reactivity and have less content of oxygen functional groups than Shenmu coal and chars. Meanwhile, chars derived from Shengli lignite at 50℃/min and Shenmu coal at 200℃/min have the greatest gasification reactivity, respectively. The oxygen functional groups in Shengli lignite are easily thermo-decomposed, and they are less affected by the heating rate, while that in Shenmu coal have a significant change with the variation of heating rate. In addition, there is no good correlation between the change of oxygen functional groups and that of the gasification reactivity of the derived chars from pyrolysis at different heating rates.

Processing map and hot working mechanisms of Cu-Ag alloy in hot compression process

For Gu-Ag alloy, an important parameter called workability in the forming process of materials can be evaluated by processing maps yielded from the stress-strain data generated by hot compression tests at temperatures of 700-850 °C and strain rates of 0.01-10 s-1. And at the true strain of 0.15, 0.35 and 0.55, respectively, the responses of strain-rate sensitivity, power dissipation efficiency and instability parameter to temperature and strain rate were studied. Instability maps and power dissipation maps were superimposed to form processing maps, which reveal the determinate regions where individual metallurgical processes occur and the limiting conditions of flow instability regions. Furthermore, the optimal processing parameters for bulk metal working are identified clearly by the processing maps.

Influence of Condensing Temperature on Heat Pump Efficiency

The thermodynamic aspect of a compression type heat pump （HP） is briefly described and special attention is given to investigation of condensing temperature influence on heat pump efficiency in heating mode, expressed by its coefficient of performance （COP）. Heat pumps are usually applied for the purposes of heating and cooling of energy efficient buildings where they have advantages in low-temperature systems, as it is well documented in the paper. The comparison of real thermodynamic processes with thermodynamically most favorable Camot＇s process is made. The results in the paper show that COP is diminishing with increasing of condensing temperature and also depends on real properties of working fluids. The impact of compressor efficiency for two real working media is also analyzed in the paper. There is significant diminishing of COP with diminishing of compressor efficiency. The intension of the paper is to help better understanding of this very effective and prosperous technology, and to encourage its development, production, and efficient application.

The SLA （Second Law Analysis） in Convective Heat Transfer Processes

In all convective heat transfer situations, losses occur in the flow field （by dissipation） as well as in the temperature field （by conduction）. Typically these losses are more or less quantified by the friction factorfwith respect to losses in the flow field, and the Nusselt number Nu for the heat transfer quality. Assessing the process of convective heat transfer as a whole, then becomes problematic because two different non-dimensional quantities, f and Nu, have to be combined somehow. From a thermodynamics point of view, there is a reasonable alternative： Since all losses become manifest in corresponding entropy generation rates, these rates are determined in the velocity as well as in the temperature field. Based on the integration of the entropy generation fields, an energy devaluation number is introduced. It basically determines how much oftbe so-called entropic potential of the energy involved in a convective heat transfer process is used within it. This approach is called SLA （second law analysis）.

Hierarchically porous composite fabrics with ultrahigh metal–organic framework loading for zero-energy-consumption heat dissipation

The long-term safe operation of high-power equipment and integrated electronic devices requires efficient thermal management,which in turn increases the energy consumption further.Hence,the sustainable development of our society needs advanced thermal management with low,even zero,energy consumption.Harvesting water from the atmosphere,followed by moisture desorption to dissipate heat,is an efficient and feasible approach for zero-energy-consumption thermal management.However,current methods are limited by the low absorbance of water,low water vapor transmission rate(WVTR)and low stability,thus resulting in low thermal management capability.In this study,we report an innovative electrospinning method to process hierarchically porous metal–organic framework(MOF)composite fabrics with high-efficiency and zero-energy-consumption thermal management.The composite fabrics are highly loaded with MOF(75 wt%)and their WVTR value can be up to 3138 g m^(-2) d^(-1).The composite fabrics also exhibit stable microstructure and performance.Under a conventional environment(30℃,60%relative humidity),the composite fabrics adsorb water vapor for regeneration within 1.5 h to a saturated value Wsat of 0.614 g g^(-1),and a corresponding equivalent enthalpy of 1705.6 J g^(-1).In the thermal management tests,the composite fabrics show a strong cooling capability and significantly improve the performance of thermoelectric devices,portable storage devices and wireless chargers.These results suggest that hierarchically porous MOF composite fabrics are highly promising for thermal management of intermittent-operation electronic devices.

Reaction heat-driven CO2 desorption during CO oxidation on Au(997) at low temperatures

Adsorption and reaction of CO and CO2 were studied on oxygen-covered Au（997） surfaces by means of temperature- programmed desorption/reaction spectroscopy. Oxygen atoms （O（a）） on Au（997） enhances the CO2 adsorption and stabilizes the adsorbed COe（a）, and the stabilization effect also depends on the CO2（a） coverage and involved Au sites. CO2（a） desorp- tion is the rate-limiting step for the CO＋O（a） reaction to produce CO2 on Au（997） at 105 K and exhibits complex behaviors, including the desorption of CO2（a） upon CO exposures at 105 K and the desorption of O（a）-stabilized CO2（a） at elevated temperatures. The desorption of CO2（a） from the surface upon CO exposures at 105 K to produce gaseous CO2 depends on the surface reaction extent and involves the reaction heat-driven CO2（a） desorption channel. CO＋O（a） reaction proceeds more easily with weakly-bound oxygen adatoms at the （111） terraces than strongly-bound oxygen adatoms at the （111） steps. These re- sults reveal complex rate-limiting COe（a） desorption behaviors during CO＋O（a） reaction on Au surfaces at low temperatures which provide novel information on the fundamental understanding of Au catalysis.

Experimental Study on Latent Heat Storage Characteristics of W/O Emulsion-Supercooling Rate of Dispersed Water Drops by Direct Contact Heat Exchange

Recently, much attention has been paid to investigate the latent heat storage system. Using of ice heat storage system brings an equalization of electric power demand, because it will solved the electric -power-demand-concentration on day-time of summer by the air conditioning. The flowable latent heat storage material, Oil/Water type emulsion, microencapsulated latent heat material-water mixture or ice slurry, etc., is enable to transport the latent heat in a pipe. The flowable latent heat storage material can realize the pipe size reduction and system efficiency improvement. Supercooling phenomenon of the dispersed latent heat storage material in continuous phase brings the obstruction of latent heat storage. The latent heat storage rates of dispersed water drops in W/O (Water/Oil) emulsion are investigated experimentally in this study. The water drops in emulsion has the diameter within 3 ~ 25μm, the averaged water drop diameter is 7.3μm and the standard deviation is 2.9μm. The direct contact heat exchange method is chosen as the phase change rate evaluation of water drops in W/O emulsion. The supercooled temperature and the cooling rate are set as parameters of this study. The evaluation is performed by comparison between the results of this study and the past research. The obtained experimental result is shown that the 35K or more degree from melting point brings 100% latent heat storage rate of W/O emulsion. It was clarified that the supercooling rate of dispersed water particles in emulsion shows the larger value than that of the bulk water.