APPI FT-ICR Oil Profiling for Direct Diamondoid Detection

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Solution Overview

Problem

Current methods for geochemical characterization of oils lack efficient tools for classifying oils based on origin and thermal evolution, as they require laborious steps like fractionation and do not effectively utilize aromatic hydrocarbons and diamondoids for direct geochemical classification.

Innovation Solution

The method employs APPI (+) FT-ICR MS for direct detection of diamondoids and aromatic hydrocarbons, providing a robust and high-speed classification of oils without prior sample preparation, using the compositional profile to develop new molecular proxies for thermal evolution and origin analysis.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If conventional methods are used for geochemical characterization of oils, then classification of oils based on origin and thermal evolution can be achieved, but laborious steps like fractionation and extraction are required

Engineering Contradiction:

Improveclassification speedVSAvoidsample preparation complexity

Core Design Contradiction:

ProductivityVSDevice complexity

Solution Approach 1:

The invention extracts and focuses on specific molecular markers (aromatic hydrocarbons and diamondoids) directly from crude oil using APPI ionization, eliminating the need for complex fractionation and extraction steps while maintaining classification accuracy

Inventive Principle:

Principle #2Taking out (Extraction)

Solution Approach 2:

The APPI ionization source acts as an intermediary that enables direct detection of non-polar aromatic hydrocarbons and diamondoids in crude oil, bridging the gap between complex oil matrices and mass spectrometric analysis without requiring preliminary separation

Inventive Principle:

Principle #24Intermediary (Mediator)

2Measurement precision

If conventional mass spectrometry methods are used, then detection of aromatic hydrocarbons is possible, but efficient direct detection without preliminary separation techniques is not achieved

Engineering Contradiction:

Improvedetection accuracyVSAvoidanalysis simplicity

Core Design Contradiction:

Measurement precisionVSEase of manufacture

Solution Approach 1:

The invention replaces mechanical separation systems (fractionation, extraction, chromatography) with a photoionization-based detection system (APPI-FT-ICR MS) that directly ionizes and detects aromatic hydrocarbons and diamondoids in crude oil, achieving both high precision and simplicity

Inventive Principle:

Principle #28Mechanics substitution (Replace mechanical system)

3Productivity

If APPI FT-ICR MS is used for direct detection, then high-speed classification without sample preparation is achieved, but reliable geochemical characterization must be maintained

Engineering Contradiction:

Improveanalysis speedVSAvoidgeochemical characterization reliability

Core Design Contradiction:

ProductivityVSReliability

Solution Approach 1:

The invention changes the ionization parameter from conventional electron impact to atmospheric pressure photoionization (APPI), which enables direct ionization of non-polar aromatic hydrocarbons and diamondoids while preserving their molecular integrity and providing reliable geochemical information

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The invention uses molecular proxies (ratios of specific aromatic hydrocarbons and diamondoids) that copy and represent the complex geochemical information of crude oil, enabling reliable classification through simplified direct detection

Inventive Principle:

Principle #26Copying

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

This approach enables reliable geochemical characterization of oils, providing indices for thermal evolution and origin classification with greater economy and precision, leveraging the direct analysis of crude oil without preliminary separation techniques.

Implementation Method 1

atmospheric pressure photoionization (APPI) source, ionization by the atmospheric pressure photoionization (APPI) source

Methodology Applied

Scientific EffectPhotoionization: Photoionisation

Implementation Method 2

Fourier transform ion cyclotronic resonance mass spectrometry (FT-ICR MS)

Methodology Applied

Scientific EffectIon cyclotron resonance: Cyclotron Radiation

Data Source

PatentUS20240142433A1Method for detecting aromatic hydrocarbons and/or diamondoids using fourier transform ion cyclotronic resonance mass spectrometry coupled with the atmospheric pressure photoionization source

Publication Date: 2024.05.02 PETROLEO BRASILEIRO SA PETROBRAS

AI summary

The present invention relates to the field of organic geochemistry wherein a method for accessing high molecular mass aromatic hydrocarbons and diamondoids was developed from comprehensive characterization carried out by high resolution spectrometry coupled with the atmospheric pressure photoionization source (APPI FT-ICR MS). Based on the compositional profile of diamondoids and aromatic hydrocarbons, it is possible to quickly and robustly classify oils in relation to their origin and thermal evolution. It is verified that the compositional detail provided by the APPI(+)-FT-ICR MS analysis allowed the development of new molecular indicators, accessed without the need for any preliminary separation technique, in order to become a powerful tool for prospecting the use of oils exploited for specific purposes.