X-ray fluorescence analysis normalization for mass fraction errors

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Solution Overview

Problem

The conventional fundamental parameter (FP) method for X-ray fluorescence analysis is limited in accuracy when the sum of mass fractions of components in a standard sample is not 1, leading to significant analysis errors, as it assumes a standard sample with a sum of 1, which is not always feasible.

Innovation Solution

The method modifies the theoretical intensity formula by normalizing only the absorption term related to X-ray absorption, ensuring the sum of mass fractions becomes 1, making the analysis independent of the absolute mass fraction values, allowing accurate analysis even when the standard sample's mass fractions do not sum to 1.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Device complexity

If the conventional FP method uses a theoretical intensity formula assuming the sum of mass fractions is 1, then the calculation is simple, but the analysis accuracy deteriorates when the standard sample's mass fractions do not sum to 1

Engineering Contradiction:
Improvecalculation simplicityVSAvoidanalysis accuracy
Core Design Contradiction:
Device complexityVSMeasurement precision

Solution Approach 1:

The patent applies local quality by differentiating the treatment of mass fractions in different parts of the theoretical intensity formula. Specifically, in the absorption term, mass fractions are normalized (divided by their sum) to account for local absorption effects, while in the generation term, absolute mass fractions are used to reflect the actual amount of fluorescent X-rays produced. This localized differentiation resolves the contradiction by maintaining calculation feasibility while improving accuracy for samples where mass fractions don't sum to 1.

Inventive Principle:
Principle #3Local quality

2Device complexity

If the FP method normalizes all mass fractions to sum to 1, then the theoretical intensity calculation is simplified, but the analysis results become inadequate when the standard sample's mass fractions sum to a value other than 1

Engineering Contradiction:
Improvetheoretical intensity calculation simplicityVSAvoidanalysis result reliability
Core Design Contradiction:
Device complexityVSReliability

Solution Approach 1:

The patent changes the parameter treatment by introducing a hybrid approach: mass fractions in the absorption term are transformed (normalized) to reflect relative absorption proportions, while mass fractions in the generation term remain as absolute values to represent actual element amounts. This parameter transformation allows the formula to accommodate standard samples with any mass fraction sum while maintaining reliable analysis results.

Inventive Principle:
Principle #35Parameter changes

3Measurement precision

If the conventional FP method uses absolute mass fractions in the theoretical intensity formula, then the analysis is independent of normalization, but the calculation becomes complex and inaccurate when mass fractions are normalized

Engineering Contradiction:
Improveanalysis accuracyVSAvoidtheoretical intensity formula complexity
Core Design Contradiction:
Measurement precisionVSDevice complexity

Solution Approach 1:

The patent segments the theoretical intensity formula into two distinct functional parts: the absorption term and the generation term. Each segment handles mass fractions differently - the absorption term uses normalized mass fractions (Wj/ΣW) to calculate relative absorption effects, while the generation term uses absolute mass fractions (Wi) to calculate actual fluorescent X-ray production. This segmentation reduces overall formula complexity by assigning appropriate treatments to each physical process.

Inventive Principle:
Principle #1Segmentation

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 modification enables accurate X-ray fluorescence analysis by making the theoretical intensity dependent on the absolute mass fractions, improving analysis accuracy and reducing errors when analyzing samples with non-standard mass fraction sums.

Implementation Method 1

irradiating a sample with primary X-rays; measuring intensities of secondary X-rays such as fluorescent X-rays generated from the sample

Methodology Applied
Scientific EffectX-ray fluorescence: Fluorescence

Implementation Method 2

a theoretical intensity formula... in an absorption term relating to absorption of X-rays

Methodology Applied
Scientific EffectX-ray absorption: Absorption (EM radiation)

Data Source

PatentEP3598116B1X-ray fluorescence analysis method, x-ray fluorescence analysis program, and x-ray fluorescence spectrometer
Publication Date: 2021.07.21 RIGAKU CORP
  • EP3598116B1 patent drawingFigure 1
  • EP3598116B1 patent drawingFigure 2
  • EP3598116B1 patent drawingFigure 3

AI summary

An X-ray fluorescence analysis method according to an FP method uses a predefined theoretical intensity formula in a standard sample theoretical intensity calculation step for obtaining a sensitivity constant and in an unknown sample theoretical intensity calculation step during iterative calculation. In the formula, only in an absorption term relating to absorption of X-rays, a mass fraction of each component is normalized so that a sum of the mass fractions of all components becomes 1.