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Simulation of Urethane Reaction for Both Analytical Methods and Formulation Development

机译:用于分析方法和配方发育的氨基甲酸酯反应的模拟

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A MATLAB program was written to solve over a dozen ordinary differential equations to model the polyurethane foaming reaction for a rigid foam. The program was able to accurately model temperature profiles of single-polyol polyurethane formulations and was able to accurately predict temperature profiles of mixtures based on pure component kinetic parameters. One application of the program is as an analytical method using Brookfield viscometry. In this application the model is sensitive to both functionality and hydroxyl number is a single analytical procedure. A value of this method is that the performance is directly related to propensity to undergo the urethane reactions. Data are presented on the accuracy of this approach for estimating both functionality and hydroxyl number. Another application of the program is to simulate the foaming process as a means to project how alternative polyols will work in a formulation. This methodology is particularly useful for expediting the adaptation of bio-based polyols in formulations. The ultimate goal is to simulate the foaming process up to and including final foam properties such as thermal conductivity and compressive strength. This initial presentation of the work will not be advanced to the point of predicting a complete set of foam properties.
机译:写入MATLAB程序以解决十几种常微分方程以模拟用于刚性泡沫的聚氨酯发泡反应。该程序能够精确地模拟单多元聚氨酯制剂的温度谱,并能够基于纯组分动力学参数精确地预测混合物的温度谱。该程序的一个应用是使用Brookfield Viscometry作为分析方法。在本申请中,该模型对功能敏感,羟数是单一的分析程序。该方法的价值是性能与经过聚氨酯反应的倾向直接相关。数据提出了这种方法的准确性,用于估计功能和羟基数。该计划的另一个应用是模拟发泡过程作为项目的手段,替代多元醇如何在配方中起作用。该方法特别适用于加速制剂中生物基多元醇的改编。最终目标是模拟发泡过程,包括最终泡沫性质,例如导热率和抗压强度。这项工作的初步呈现不会向预测完整的泡沫特性进行前进。

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