Abstract

Based on the results of a kinetic study of the condensation of acetaldehyde and formaldehyde in the presence of sodium hydroxide and taking into account well-known data, we compiled a reaction scheme of the process, in which pentaerythritol, dipentaerythritol, tripentaerythritol, bispentaerythritolformal, pentaerythritol methyl ether, and sodium 2,2-bis(hydroxymethyl)propanoate are formed. According to the reaction scheme, we developed a mathematical model of the process, which includes reaction rate equations and formulas for calculating the activity coefficients of ions and the degrees of ionization and equilibrium concentrations of intermediate substances. The effective kinetic parameters and activation energies of reactions were found. The adequacy of the mathematical model was statistically evaluated under the following conditions: an acetaldehyde–formaldehyde–sodium hydroxide molar ratio of 1 : 4–9 : 1.2, an initial acetaldehyde concentration of 0.4–0.9 mol/L, and a temperature of 13–47°C.

中文翻译：

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季戊四醇合成的数学模型

摘要

基于在氢氧化钠存在下乙醛和甲醛缩合的动力学研究结果，并考虑到众所周知的数据，我们编制了该方法的反应方案，其中季戊四醇，二季戊四醇，三季戊四醇，双季戊四醇缩甲醛，季戊四醇形成二甲醚和2,2-双（羟甲基）丙酸钠。根据反应方案，我们开发了该过程的数学模型，其中包括反应速率方程式和公式，用于计算离子的活度系数以及电离度和中间物质的平衡浓度。发现了有效的动力学参数和反应的活化能。在以下条件下，对数学模型的充分性进行了统计评估：