The newly engineered ERASPEC mid FTIR and NIR Analyzer (Figure 1) brings precise, automated, quick and comprehensive chemical analysis directly to your laboratory.

[Figure 1] ERASPEC mid FTIR and NIR.

Introducing the ERASPEC Mid-FTIR Analyzer, a cutting-edge chemical analysis device designed for rapid and precise measurement of various chemical properties. It features three cell sizes (20, 100, and 500 μm) to enhance result accuracy. This revolutionary analyzer, further enhanced with the NIR Upgrade Module, seamlessly integrates mid-FTIR and NIR spectroscopy, setting a new standard in the characterization and quality control of chemicals such as gasoline, diesel, and jet fuel formulations

Mid-FTIR and NIR: A Powerful Combination

The integration of mid-FTIR and NIR spectroscopy in the ERASPEC analyzer combines the
strengths of both techniques:

• Mid-FTIR: Offers in-depth analysis of the molecular structure and composition of chemicals. It is particularly effective for identifying and quantifying specific chemical bonds and functional groups.
• NIR: Provides rapid analysis, ideal for quantifying components and properties such as octane number, cetane number, and various physical parameters. Additionally, NIR can detect responses from compounds, such as alkanes, that are typically not as prominent in Mid-IR spectroscopy, thereby offering a broader scope of chemical analysis.

The ERASPEC analyzer with the NIR upgrade is a game-changer for chemical analysis, delivering multiple benefits:

• Comprehensive Analysis: Capable of analyzing gasoline, diesel, and jet fuels, ensuring broad applicability in fuel quality control and research.
• Accuracy and Speed: Combines the precise molecular analysis of mid-FTIR with the rapid assessment capabilities of NIR, offering unmatched accuracy and efficiency.
• Ease of Use: Designed for user-friendly operation, with minimal training required for accurate and repeatable results.
• Regulatory Compliance: Adheres to various ASTM standards, ensuring compliance with industry regulations and standards.

PLS MIR+NIR Fuel Prediction Model

The development and application of the Partial Least Squares (PLS), mid-FTIR (MIR) + near-Infrared (NIR) model for fuel prediction represent a significant advancement in fuel analysis technology. This report summarizes the key findings and implications of using the PLS MIR+NIR model. This model offers enhanced predictive capabilities compared to traditional Fourier-Transform Infrared (FTIR) and Multiple Linear Regression (MLR) models, particularly in addressing the variability in fuel composition due to changes in crude oil sources and distribution systems.

The ERASPEC analyzer has become a market leader due to its fast, easy-to-build libraries and reliable results. Traditional FTIR models, which were effective for localized fuel analysis, have struggled with the increasing complexity and number of variables in fuel compositions. This is due to the process of diverse crude oils and the widespread distribution of gasoline in refineries, which caused significant challenges in maintaining accurate and stable fuel models.

Model Performance

The PLS MIR+NIR model was developed using a comprehensive dataset of 715 samples collected across four regions of China, 15 European samples with ethanol. The model was further validated with 100 additional samples from China and 17 samples from Florida, USA.

[Figure 2] Models of Pentane and Decane.

Key Findings

1. Self-Prediction of the Model:
The PLS MIR+NIR model demonstrated superior accuracy compared to the MLR MIR model. The Standard Error of Calibration (SEC) was significantly lower for the PLS MIR+NIR model (0.37) compared to the MLR MIR model (0.78).

[Figure 3] Results of PLS and MLR models. It shows a superior accuracy of the PLS model.

2. Validation with Unknown Samples:
When tested on unknown samples similar to the model, both the PLS MIR+NIR and MLR MIR models performed well, but the PLS MIR+NIR model was approximately twice as accurate. The SEC for the PLS MIR+NIR model was 0.40, while it was 0.87 for the MLR MIR model.

[Figure 4] Results for the unknown samples for PLS and MLR models have the same trend.

The PLS MIR+NIR model’s ability to integrate new information from the NIR spectrum, particularly combination reports that provide additional information on CH2/CH3 distributions, has contributed to its enhanced stability and accuracy. This extended spectral range allows for better predictions for unknown fuels, and the model’s capacity to update directly on the instrument without external devices ensures its adaptability to new fuel compositions.

Real-World Impact

The ERASPEC analyzer’s dual spectroscopy approach significantly enhances the throughput and reliability of chemical testing in laboratories and industrial settings. It enables precise monitoring of fuel quality, helping to prevent engine and machinery damage, optimize performance, and ensure regulatory compliance. The integration of mid-FTIR and NIR spectroscopy in the ERASPEC analyzer opens up a wide range of applications across various industries, showcasing its versatility and advanced capabilities.

Refinery and Petrochemical Operations

It ensures precise fuel blending to meet specific quality standards and regulatory requirements.

Aviation Industry

It performs jet fuel analysis to ensure fuel quality meets the standards for safety and performance.

Environmental Monitoring

It analyzes fuel compositions to assess their environmental impact, and it helps industries to comply with environmental regulations by providing accurate data on fuel properties and emissions.

Renewable Fuels

It ensures the quality of biofuels such as ethanol and biodiesel.

Research and Development

It provides detailed analysis of experimental fuels under various conditions to evaluate their performance and potential applications.

Oil and Gas

It analyzes oil samples from exploration wells for reservoir characterization, and monitors production fluid to ensure the quality of produced oil meets required standards.

In summary, the ERASPEC mid FTIR Fuel Analyzer with the NIR Upgrade Module sets a new standard in fuel analysis, providing unmatched accuracy, efficiency, and versatility across a multitude of industries. The PLS MIR+NIR model is a significant improvement over traditional fuel prediction models, particularly in its ability to handle variability in fuel composition. Its enhanced accuracy, demonstrated by lower SEC values and better validation performance with unknown samples, makes it a valuable analysis tool for the modern fuel industry. Its advanced features and wide-ranging applications make it an essential tool for ensuring chemical quality, optimizing performance, and supporting regulatory compliance, thereby revolutionizing the field of chemical analysis.