A comprehensive chemical model for the preliminary steps of the thermal stabilization process in a carbon fibre manufacturing line†,Reaction Chemistry & Engineering

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A comprehensive chemical model for the preliminary steps of the thermal stabilization process in a carbon fibre manufacturing line†
Reaction Chemistry & Engineering ( IF 3.4 ) Pub Date : 2018-10-12 00:00:00 , DOI: 10.1039/c8re00164b
Khashayar Badii _{1,

2,

3,

4} , Gelayol Golkarnarenji _{1,

2,

3,

4} , Abbas S. Milani _{1,

5,

6,

7} , Minoo Naebe _{1,

3,

4,

8,

9} , Hamid Khayyam _{1,

4,

10,

11}

Affiliation

The thermal stabilisation process of the carbon fibre production line, as an energy consuming oxidation reaction, is diffusion limited. Therefore the kinetic parameters, estimated from traditional methods, cannot be applied due to the significance of oxygen diffusivity. Moreover, this process involves multiple chemical reaction systems, which are interconnected and often too complex to explain via analytical frameworks. One common solution to comprehend such a process and optimise its parameters is mathematical deterministic models. In the present study, a comprehensive deterministic model was developed to predict the kinetic parameters with a finite number of experiments by an optimisation algorithm. Then the model was used to study the progress of the process, particularly in the first steps of the process to explain the decrement of C [double bond, length as m-dash]

O bonds in the oxidised fibre by adding a reduction step to the stabilisation mechanism and considering the role of oxygen as a catalyst in cyclisation. The developed model is based on the structure of the PAN precursor, fibre tow and governing differential equations for the underlying phenomena, including chemical kinetics and mass transfer, associated with empirical relations for oxygen diffusivity and physical properties under isothermal conditions. The results presented up to 95% improvement in outcomes of the model for a pilot carbon fibre production line.

中文翻译：

碳纤维生产线中热稳定过程的初步步骤的综合化学模型†

作为耗能的氧化反应，碳纤维生产线的热稳定过程受到扩散的限制。因此，由于氧气扩散性的重要性，无法应用根据传统方法估算的动力学参数。此外，此过程涉及多个化学反应系统，这些系统相互关联且通常过于复杂，无法通过以下方式进行解释分析框架。理解这种过程并优化其参数的一种常见解决方案是数学确定性模型。在本研究中，开发了一个全面的确定性模型，以通过优化算法在有限数量的实验中预测动力学参数。然后，该模型用于研究过程的进度，特别是在过程的第一步中解释C的减少 [双键，长度为m-破折号]