Aromatic Alkyl Carbon Number Estimation with GPC Retention Models

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Solution Overview

Problem

Existing methods for estimating the carbon number of an alkyl substituent in aromatic compounds are limited by the high cost and availability of mass spectrometry equipment, and gas chromatography fails to detect high-boiling and non-boiling compounds effectively.

Innovation Solution

Utilizing gel permeation chromatography (GPC) with UV detection and integrated prediction models to determine the carbon number of alkyl substituents, employing calibration curves based on retention time and physical parameters like molecular length or volume, enabling detection and estimation of alkyl substituents in aromatic compounds.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If high-resolution mass spectrometry is used to estimate carbon number, then measurement precision is improved, but device cost and availability worsen

Engineering Contradiction:

Improvecarbon number estimation accuracyVSAvoidequipment cost and availability

Core Design Contradiction:

Measurement precisionVSDevice complexity

Solution Approach 1:

The patent replaces expensive mass spectrometry equipment with inexpensive gel permeation chromatography equipment that is widely available. The GPC system uses standard HPLC instrumentation and simple calibration curves to achieve carbon number estimation without requiring costly mass spectrometers, thereby resolving the contradiction between measurement precision and device cost.

Inventive Principle:

Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The patent substitutes the complex mass spectrometry analytical system with a simpler chromatographic separation system combined with UV detection and computational prediction models. This replacement maintains adequate measurement precision for carbon number estimation while dramatically reducing equipment cost and improving availability through the use of standard HPLC equipment.

Inventive Principle:

Principle #28Mechanics substitution (Replace mechanical system)

2Productivity

If gas chromatography is used to characterize hydrocarbon samples, then analysis speed is improved, but detection completeness worsens due to inability to detect high-boiling and non-boiling compounds

Engineering Contradiction:

Improveanalysis speedVSAvoiddetection completeness

Core Design Contradiction:

ProductivityVSReliability

Solution Approach 1:

The patent changes the operating parameters of the chromatographic system by using gel permeation chromatography with a mobile phase and column conditions optimized for separating compounds across a wide boiling point range. This includes using appropriate column temperatures, flow rates, and mobile phase compositions that enable both high-boiling and non-boiling compounds to be detected, thereby resolving the contradiction between analysis speed and detection completeness.

Inventive Principle:

Principle #35Parameter changes

3Ease of operation

If gel permeation chromatography with UV detection is used, then device cost and ease of operation are improved, but measurement precision worsens compared to mass spectrometry

Engineering Contradiction:

Improvesetup simplicity and operational easeVSAvoidcarbon number estimation accuracy

Core Design Contradiction:

Ease of operationVSMeasurement precision

Solution Approach 1:

The patent introduces prediction models as an intermediary between the simple GPC retention time measurements and the final carbon number estimation. These computational models use the retention time data combined with molecular structure information to predict carbon numbers with high accuracy, thereby compensating for the lower inherent precision of UV detection compared to mass spectrometry while maintaining the ease of operation of the GPC system.

Inventive Principle:

Principle #24Intermediary (Mediator)

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

Provides a cost-effective and comprehensive method for estimating alkyl substituent carbon numbers, suitable for characterizing refinery streams and monitoring cracking reactions, with high accuracy and wide applicability to various petroleum samples.

Implementation Method 1

The disclosure relates to methods to estimate the carbon number of an alkyl substituent of an aromatic compound using a gel permeation chromatography (GPC) retention time

Methodology Applied

Scientific EffectGel permeation chromatography: Chromatography

Implementation Method 2

The methods can include the use of a UV detector with the size exclusion chromatography, which allows for the selective detection of aromatic compounds in a sample that includes non-aromatic compounds

Methodology Applied

Scientific EffectUV detection: Absorption (EM radiation)

Data Source

PatentUS12422416B2Estimation of alkyl substituent carbon number of aromatic compounds using gel permeation chromatography retention time and prediction models

Publication Date: 2025.09.23 SAUDI ARABIAN OIL CO

AI summary

The disclosure relates to methods to estimate the carbon number of an alkyl substituent (number of carbon atoms in the alkyl substituent) of an aromatic compound using a gel permeation chromatography (GPC) retention time and prediction models.