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排序方式: 共有4453条查询结果,搜索用时 49 毫秒
41.
高小红 《计算机与应用化学》2014,(9):1119-1121
利用热力学基础数据和相关软件对Co-Mo-K催化剂上COS、HCN加氢和水解反应进行了热力学计算。在热力学上,COS、HCN加氢和水解反应在耐硫变换条件下均为自发过程。计算结果表明在Co-Mo-K耐硫变换条件下COS、HCN主要发生的是水解反应,该结果与工业经验数据基本一致,可以作为工业实际借鉴。 相似文献
42.
Jan‐Chan Huang 《应用聚合物科学杂志》2004,91(5):2894-2902
Experimental values of the Flory–Huggins parameter, χ, between polymers and solvents, are frequently used to determine the solubility parameters of the polymers. A method using nonlinear curve fitting of RTχ/V was compared to the linear regression method commonly used. It was found that the formulas for the solubility parameter were the same, but the linear method produced a slightly different entropy term. The nonlinear method gave a lower correlation coefficient and wider confidence intervals and was more effective at distinguishing systems than the linear model. The effect of the deviation of probes in the solubility parameter model is discussed. Using probes with low solubility parameters to measure the polymer solubility parameter gave wider confidence intervals. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 91: 2894–2902, 2004 相似文献
43.
D. J. Twait W. J. Lackey † Arlynn W. Smith Woo Y. Lee John A. Hanigofsky 《Journal of the American Ceramic Society》1990,73(6):1510-1518
Thermodynamic calculations were performed using a modified solgasmix-pv computer program in order to study the feasibility of codepositing boron nitride (BN) plus aluminum nitride (AIN) by chemical vapor deposition. Reactants considered were AICl3 , BCl3 or B2 H6 , NH3 , and H2 . Deposition diagrams were generated for the BCl3 -AICl3 -NH3 system over a range of processing conditions such as temperature, total system pressure, and reagent concentrations. Codeposition of BN + AIN was predicted by the calculations for temperatures in the range of 900 to 1700 K and pressures of 10.13 to 101.3 kPa. The predicted deposition efficiency at equilibrium was much higher for BN than for AlN at most reagent compositions. The AlN deposition efficiency increased with decreasing temperature and decreasing BCl3 content, with increasing NH3 content, or with the addition of H2 . Aluminum chlorides were found to be the dominant gaseous species. 相似文献
44.
David C. Hitchcock Richard P. Rusin D. Lynn Johnson 《Journal of the American Ceramic Society》1991,74(9):2165-2169
Thermodynamic calculations predict, and experiments verify, that YBa2 Cu3 O7 -8 (123) powder is unstable in the presence of NOx -containing aerosol reactor exhaust gases at temperatures below about 600°C. Powders collected above the stability temperature are single-phase 123, while powders collected at lower temperature contain Ba(NO3 )2 formed by reaction of the powder with NOx , after exit from the hot zone. 相似文献
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47.
Jan‐Chan Huang 《应用聚合物科学杂志》2004,94(4):1547-1555
Experimental values of Flory–Huggins parameters, χ, between polymers and probes, are frequently used to determine the solubility parameters of the polymers by the method of DiPaola–Baranyi and Guillet. The solubility parameters of probes were usually estimated by using heat of vaporization. When χ is measured at a temperature near the critical temperature of the probes and used to determine the solubility parameter of polymers, the departure of enthalpy of the probe vapor from the ideal gas state should be considered. This study discussed the method to make the correction and its effect on the determination solubility parameter of polymers. Without correction in the vapor phase enthalpy, the solubility parameters of the probes and polymer tend to be underestimated and the error increases when the critical temperature is approaching. Analytical expressions for the effect of correction on the solubility parameter of probes and parameters of polymers were derived. By use of probes with a range of solubility parameters on both sides of the solubility parameter of polymers, the correlation between parameters of polymers was shown to be reduced. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 94: 1547–1555, 2004 相似文献
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In this work, entropic expressions of UNIFAC‐FV and Entropic‐FV models were evaluated by using an extensive database of infinite dilution vapor–liquid equilibrium (VLE) data of athermal systems containing polypropylene, polyethylene, and polyisobutylene. For the infinite dilution athermal systems, performance of the Entropic‐FV model was better than that of the UNIFAC‐FV model. Then, finite concentration VLE data of non‐athermal systems that consisted of 16 polymers and 36 solvents containing a large variety of solvent–polymer systems ranging from nonpolar to polar substances were considered to optimized 46 pairs of group interaction parameters of the Entropic‐FV model. For systems containing polar solvents of three types of solvents studied, revised group interaction parameters gave significant improvements from 17.9 to 13.0% average absolute deviation (AAD) of solvent activities. For overall results, improvements were achieved from 15.1 to 12.4% AAD. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1145–1153, 2005 相似文献
50.
Activities of NiO were measured in the oxide and spinel solutions of the system MnO–NiO–Al2 O3 at 1300° and 1400° C with the aim of deriving information on the thermodynamic properties of the spinel phases. Synthetic samples in selected phase assemblages of the system were equilibrated with metallic nickel and a gas phase of known oxygen partial pressures at a total pressure of 1 atm. The data on NiO activities and directions of conjugation lines between coexisting oxide and spinel phases were used to establish the activity–composition relations in spinel solid solutions at 1300° and 1400°C. The MnAl2 O4 –NiAl2 O4 solid solutions exhibit considerable negative deviations from ideality at these temperatures. The free energy of formation of MnAl2 O4 from its oxide components (MnO + Al2 O3 ) at 1300° and 1400°C is calculated to be −24.97 and −26.56 kJ. mol−1 , respectively. The activities determined in the stoichiometric spinel solid solutions are more negative as compared with those predicted from cation distribution models. 相似文献