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A new method is proposed based on the position group contribution additivity for the prediction of melting points of covalent compounds. The characteristics of this method are the use of position distribution function, which could distinguish between most isomers including cis or trans structure of organic compounds. Contributions for hydrocarbons and hydrocarbon derivatives containing oxygen, nitrogen, chlorine, bromine and sulfur, are given. Results are compared with those by the most commonly used estimating methods. The average derivation for prediction of normal melting temperature of 730 compounds is 14.46 K, compared to 29.33 K with the method of Joback, and 27.81 K with the method of Constantinou-Gani. The present method is not only more accurate, but also much simpler and more stable. 相似文献
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甲烷在烷烃中溶解性质的研究 总被引:3,自引:0,他引:3
分析了高压下甲烷在从乙烷到正十六烷共计十六种溶剂中的溶解度数据,对同一温度不同压力下的数据进行了分析并关联得出相应的亨利系数,通过分析得知甲烷在所分析数据的压力范围内也符合亨利定律,同时对甲烷在不同溶剂中的亨利系数和温度的变化趋势作图,并且详细分析了溶剂的碳原子数,支链甲基和直链碳原子数对甲烷亨利系数的影响,拟俣得到了亨利常数与温度关联式的系数,同时提出了以临界体积为参数的甲烷在饱和烃中亨利系数的估算方法,为液态天然气的使用提供了必要的基础数据和计算方法。 相似文献
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The viscosity data of 61 gaseous substances under normal pressure are critically assessed.The datacollected were published either in the years from 1967 to 1979 for the fifty of the substances or from1960 to 1966 for the others.The mathematical expressions used in the literature for correlating viscositydata of gaseous substances with temperature are reviewed,systematized and selected to correlate thedata assessed.The constants of the selected correlations are determined by the method of least squareswith a digital computer.The values of viscosity calculated by these correlations are then compared withthe experimental measurements.For the four-constants correlations,η=A_0+A_1T+A_2T~2+A_3T~3(Ⅰ) and lnη=A_0+B_0lnT+B_1/T+B_2/T~2(Ⅱ),the overall per cent deviations are 0.160 and 0.157 respectively.Equation(Ⅰ) is recommended for simplicity of calculation.The two-constants correlations,η-KT~(3/2)/(C+T)(Ⅲ),η=A_0+A_1T(Ⅳ) and η=aT~n(Ⅴ) have nearly the same accuracy of estimating viscosity values.Equation(Ⅳ) is simple for use and equation (Ⅲ) can correlate data of wider temperature range with an overallper cent deviation of 0,460. 相似文献
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The four coefficients A,B,C and D of the correlation of ideal gas heat capacity,C_p~0=A BT CT~2 DT~3,have been determined for 435 substances by the method of least squares with a digital computer onthe basis of the recently published C_p~O data during the period of 1968 to 1978.The average percent devia-tion of the calculated values of C_p~O from the experimental values is 0.160.The substances have been selec-ted according to their relative importance in fundamental chemical industries.For part of the substancesselected,there are so far still no heat-capacity correlations,and for the others,the already existing cor-relations are not based on recently published experimental C_P~O,data. 相似文献
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聚3-羟基丁酸酯是生物可完全降解塑料,是解决“白色污染”的有效途径。3-羟基甲酯是制备可降解塑料的重要原料。本文分析了影响3-羟基丁酸甲酯合成的各种因素,确定了最佳工艺条件。 相似文献
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