Determination of RON, aromatics, benzene, olefins, and density in reformate by NIRS
AN-NIR-114
2023-04
zh
Multiparameter analysis with results delivered in one minute
要测定重整油的关键质量参数，即研究辛烷值（RON，ASTM D2699-19）、芳烃含量（ASTM D5769-15）、苯含量、烯烃含量和密度，需要采用费时费力的传统方法。相比之下，瑞士万通 DS2500近红外液体分析仪可以测量所有这些参数，无需任何样品制备即可在一分钟内提供结果。
Refiners use the catalytic reforming process to produce high-octane reformate. This reformate is used for premium gasoline blends or petrochemical feedstock. The determination of key quality parameters of reformate—namely research octane number (RON, ASTM D2699), aromatic content (ASTM D5769), benzene content, olefin content, and density—requires time-consuming and laborious conventional methods.
In contrast, all of these parameters (and more) can be measured by near-infrared (NIR) spectroscopy. The Metrohm DS2500 Liquid Analyzer, operating in the visible and near-infrared spectral region (Vis-NIR), provides results within one minute without any sample preparation.
507 different reformate samples were measured on the Metrohm DS2500 Liquid Analyzer (Figure 1). All measurements were performed in transmission mode from 400–2500 nm using 8 mm disposable vials. The temperature control of the analyzer was set to 35 °C for all measurements to ensure the best performance and highest quality data. Data acquisition and prediction model development was performed with the Metrohm software package Vision Air Complete.
Table 1. Hardware and software equipment overview.
| Equipment | Article number |
|---|---|
| DS2500 Liquid Analyzer | 2.929.0010 |
| DS2500 Holder 8 mm vials | 6.7492.020 |
| Vision Air 2.0 Complete | 6.6072.208 |
The measured Vis-NIR spectra (Figure 2) were used to create a prediction model for quantification of all five parameters. The quality of the prediction models was evaluated using correlation diagrams which display a high correlation (R2 > 0.98) between the Vis-NIR prediction and the reference methods for all parameters. The respective figures of merit (FOM) display the expected precision and confirm the feasibility during routine analysis (Figures 3–7).
| Figures of Merit | Value |
|---|---|
| R2 | 0.996 |
| Standard Error of Calibration | 0.34 |
| Standard Error of Cross-Validation | 0.36 |
| Figures of Merit | Value |
|---|---|
| R2 | 0.999 |
| Standard Error of Calibration | 0.88 vol% |
| Standard Error of Cross-Validation | 0.91 vol% |
| Figures of Merit | Value |
|---|---|
| R2 | 0.984 |
| Standard Error of Calibration | 0.066 vol% |
| Standard Error of Cross-Validation | 0.088 vol% |
| Figures of Merit | Value |
|---|---|
| R2 | 0.982 |
| Standard Error of Calibration | 0.71 vol% |
| Standard Error of Cross-Validation | 0.87 vol% |
| Figures of Merit | Value |
|---|---|
| R2 | 0.993 |
| Standard Error of Calibration | 0.0029 kg/L |
| Standard Error of Cross-Validation | 0.0034 kg/L |
This Application Note demonstrates the feasibility of the Metrohm DS2500 Liquid Analyzer for the determination of RON, aromatic content, benzene content, olefin content, and density in reformate samples. Compared to the conventional methods, Vis-NIR spectroscopy enables fast determination (Table 2) without any sample preparation. Significant gains are achieved through time savings as well as the reduction in chemical usage and waste.
Table 2. Time to result overview for the parameters of RON, aromatic content, benzene content, and olefin content by standard methods.
| Parameter | Method | Time to result |
|---|---|---|
| RON | CFR engine test | ∼30 minutes per sample |
| Aromatic content | Gas Chromatography | ∼45 minutes per sample |
| Benzene content | Gas Chromatography | ∼45 minutes per sample |
| Olefin content | Gas Chromatography | ∼45 minutes per sample |
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