New SimDist Software and Applications

Significance of the Topic

Simulated distillation by gas chromatography is a cornerstone technique in the petro-refinery sector for predicting boiling point distributions of hydrocarbon feedstocks. Accurate boiling point profiles are essential for quality control, regulatory compliance, process optimization and yield forecasting of petroleum products such as kerosene, diesel and heavy oils.

Objectives and Study Overview

This work evaluates the newly developed Shimadzu SimDist software fully integrated into the LabSolutions GC control environment. The aim is to streamline method setup, data acquisition, integration and reporting within a single software platform. The ASTM D2887 method is used as a demonstration to showcase calibration, sample analysis and result comparison features.

Methodology and Instrumentation

The SimDist method employs a nonpolar capillary column coupled with a flame ionization detector (FID) on a Shimadzu GC system. Boiling point calibration is performed using a series of n-alkane standards (n-C6 to n-C44 and beyond). Retention time–boiling point correlation is established, enabling conversion of elution volume to boiling point in the distillation curve. The software supports internal and external standard methods for samples containing non-eluting components. All operations are managed within LabSolutions ver. 5.54SP2 or ver. 6.11SP1 on a Windows 7 64 bit platform.

Main Results and Discussion

• Compliance with all major SimDist standards including JIS K2254, ASTM D2887, D3710, D6417, D6352, D5307, D7500, D7169 and EN 15199 series.
• Unified method and data files (.gcm and .gcd) store calibration parameters, method settings, raw chromatograms and simulated distillation results.
• Batch processing automates blank runs, calibration, sample analysis and report generation in a single workflow.
• Overlay comparison of up to 16 distillation curves with statistical outputs (max, min, mean, RSD) enhances quality and process control.
• Demonstration of the ASTM D2887 method on a diesel reference oil showed robust calibration, QC criteria compliance and strong correlation to traditional D86 distillation.

Benefits and Practical Applications

• Significant reduction in analysis time and complexity compared to classical D86 true distillation.
• Centralized control of GC operation, SimDist parameters and reporting within LabSolutions.
• Customizable report layouts including calibration curves, chromatograms, distillation graphs, tables and summaries.
• Enhanced traceability and data integrity by saving all results in a unified file format.
• Versatile application across a wide range of petroleum fractions from gasoline to heavy crude.

Future Trends and Potential Applications

Further developments may include expansion of the calibration range up to n-C120, cloud-based data storage and remote monitoring, advanced chemometric analysis and integration with real-time process control systems. Coupling SimDist with alternative detectors or hyphenated techniques could extend applicability to emerging fuel blends and bio-derived fractions.

Conclusion

The new Shimadzu SimDist software within LabSolutions delivers a streamlined, robust and comprehensive environment for simulated distillation GC analysis. It supports all official methods, simplifies workflows through batch automation and enhances data comparison and reporting capabilities. The successful demonstration of ASTM D2887 confirms its accuracy, ease of use and suitability for routine quality and process control.

References

No external references were provided in the original document.