当前位置：
X-MOL 学术
›
Ind. Eng. Chem. Res.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Diffusion Coefficients in Mixtures of Poly(oxymethylene) Dimethyl Ethers with Alkanes
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2024-01-09 , DOI: 10.1021/acs.iecr.3c03839 Sarah Mross 1 , Sebastian Schmitt 1 , Simon Stephan 1 , Kerstin Münnemann 1 , Hans Hasse 1
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2024-01-09 , DOI: 10.1021/acs.iecr.3c03839 Sarah Mross 1 , Sebastian Schmitt 1 , Simon Stephan 1 , Kerstin Münnemann 1 , Hans Hasse 1
Affiliation
|
Poly(oxymethylene) dimethyl ethers (OME, CH3O(CH2O)nCH3) are new synthetic fuels that can be produced from renewable resources. An interesting application of OME fuels is the use of them in mixtures with hydrogenated vegetable oils (HVO), which mainly consist of alkanes. Data on diffusion coefficients of OME containing mixtures are lacking in the literature but are needed for modeling OME production processes and OME combustion. Therefore, in the present work, self-diffusion coefficients of binary mixtures of OME and alkanes were measured by pulsed field gradient nuclear magnetic resonance (PFG-NMR). OME with chain lengths n = 1...4 were studied; the alkanes were n-dodecane (C12) and n-hexadecane (C16). The measurements in the binary mixtures were carried out at high dilution of the diffusing components and extrapolated to obtain the self-diffusion coefficients at infinite dilution that are identical with the mutual diffusion coefficient. For completeness, the self-diffusion coefficients of the pure components were also measured. The experiments were carried out at temperatures between 298.15 and 353.15 K at ambient pressure. The experimental data for the diffusion coefficients at infinite dilution were compared with the results from established prediction methods (SEGWE and Wilke and Chang), revealing considerable discrepancies. Furthermore, entropy scaling (ES) was applied here for the first time for modeling diffusion coefficients at infinite dilution. By coupling the results from entropy scaling with the Vignes equation, mutual diffusion coefficients in mixtures of OME and alkanes can now be predicted as a function of temperature, pressure, and composition for a wide range of conditions.
中文翻译：
聚甲醛二甲醚与烷烃混合物中的扩散系数
聚（甲醛）二甲醚（OME，CH 3 O(CH 2 O) n CH 3）是可以用可再生资源生产的新型合成燃料。OME 燃料的一个有趣的应用是与氢化植物油 (HVO) 混合使用，氢化植物油主要由烷烃组成。文献中缺乏含有 OME 混合物的扩散系数的数据，但需要对 OME 生产过程和 OME 燃烧进行建模。因此，在本工作中，通过脉冲场梯度核磁共振（PFG-NMR）测量了OME和烷烃的二元混合物的自扩散系数。研究了链长n = 1...4的 OME ；烷烃是正十二烷(C12)和正十六烷(C16)。二元混合物中的测量是在扩散组分的高度稀释下进行的，并外推以获得与互扩散系数相同的无限稀释下的自扩散系数。为了完整性，还测量了纯组分的自扩散系数。实验在环境压力、298.15 至 353.15 K 之间的温度下进行。将无限稀释时扩散系数的实验数据与现有预测方法（SEGWE、Wilke 和 Chang）的结果进行比较，发现存在相当大的差异。此外，这里首次应用熵标度（ES）来模拟无限稀释下的扩散系数。通过将熵标度的结果与维涅斯方程相结合，现在可以在各种条件下将 OME 和烷烃混合物中的相互扩散系数预测为温度、压力和成分的函数。
更新日期：2024-01-09
中文翻译：
聚甲醛二甲醚与烷烃混合物中的扩散系数
聚（甲醛）二甲醚（OME，CH 3 O(CH 2 O) n CH 3）是可以用可再生资源生产的新型合成燃料。OME 燃料的一个有趣的应用是与氢化植物油 (HVO) 混合使用，氢化植物油主要由烷烃组成。文献中缺乏含有 OME 混合物的扩散系数的数据，但需要对 OME 生产过程和 OME 燃烧进行建模。因此，在本工作中，通过脉冲场梯度核磁共振（PFG-NMR）测量了OME和烷烃的二元混合物的自扩散系数。研究了链长n = 1...4的 OME ；烷烃是正十二烷(C12)和正十六烷(C16)。二元混合物中的测量是在扩散组分的高度稀释下进行的，并外推以获得与互扩散系数相同的无限稀释下的自扩散系数。为了完整性，还测量了纯组分的自扩散系数。实验在环境压力、298.15 至 353.15 K 之间的温度下进行。将无限稀释时扩散系数的实验数据与现有预测方法（SEGWE、Wilke 和 Chang）的结果进行比较，发现存在相当大的差异。此外，这里首次应用熵标度（ES）来模拟无限稀释下的扩散系数。通过将熵标度的结果与维涅斯方程相结合，现在可以在各种条件下将 OME 和烷烃混合物中的相互扩散系数预测为温度、压力和成分的函数。
京公网安备 11010802027423号