对《化学物理手册》第61版版本评介

《化学物理手册》(Handbook of Che-mistry and Physics)从1918年开始出版以来,经常修订版本,至1981年为第61版。该《手册》除索引外,分为数学、元素和无机化合物、有机化合物、普通化学、一般物理     

基团贡献法估算烃的辛烷值

提出了两种用基团贡献法估算烃的辛烷值的方法 ,第一水平基团法和第二水平基团法。按在不同分子中相同原子带电量不变的原则划分出 2 4个第一水平基团和 31个第二水平基团 ,并用试验数据回归得到第一水平基团和第二水平基团对MON和RON的贡献值。用新方法对未参加回归的五种物质的辛烷值进行了预测 ,结果表明对于含有支链和环的烃应采用第二水平基团法估算其辛烷值 ,对简单的直链烃采用第一水平基团法估算其辛烷值     

CRITICAL ASSESSMENT OF VISCOSITY AND ITS CORRELETION WITH TEMPERATURE FOR GASEOUS SUBSTENCES UNDER NORMEL PRESSURE

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.     

CORRELATION OF RECENT IDEAL GAS HEAT-CAPACITY DATA WITH TEMPERATURE

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.     

3-羟基丁酸甲酯的合成研究

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。     

新近理想气体热容数据与温度的关联

根据1968年至1978年期间新近发表的C_p~o数据,最小二乘法由电子计算机计算,确定了435种物质的理想气体热容C_p~o与温度的四项关联式C_p~o=A+BT+CT~2+DT~3中的常数A、B、C、D。计算的C_p~o值与实验值的平均百分误差为0.160。这些物质是按它们在基本化学工业中的相对重要性选择的。它们或是还没有C_p~o的温度关联式,或是虽然已有这种关联式,但并不是基于新近发表的C_p~o数据。     

3-羟基丁醛液相氧化反应中环流反应器的设计及其参数估算

液体循环速度是环流反应器的主要特征参数之一，本文设计并加工了环流反应器。为了实现工业放大，对设计的环流反应器，通过对整个反应器的能量衡算，提出了液体循环速度的估算公式，采用该估算公式对本实验条件下的循环速度进行了估算。并与Provic等由实验结果回归的经验估算公式的估算值进行了比较，结果表明二者的估算值非常接近。     

顺丁烯二酸酐在单一溶剂和混合溶剂中的固液平衡研究

Solid-liquid equilibria (SLE) of three binary systems and seven ternary systems containing maleic anhydride(MA) are measured by visual method. The experimental data are compared with the calculated ones with modified universal quasichemical functional group activity coefficient(UNIFAC) method in which the interaction parameters between groups come from two sources, dortmund data bank(DDB), if there’s any, and correlations based on our former presented experimental SLE data of twenty binary systems. New groups of MA, ACCOO group, COO group, ＞C=O group and cy-CH2 group are defined and the SLE data of maleic anhydride in isopropyl acetate in literature are cited in order to assess the new interaction parameters, correlated with Wilson equation and the λh equation. The modified UNIFAC method with these new regressed interaction parameters is also used to predict other three binary systems containing maleic anhydride.