Nonlinear Mixing Equations for Surfactant Blend Hydrophilicity Prediction

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Solution Overview

Problem

Current systems fail to accurately determine characteristic values for nonionic surfactant mixes, particularly for technical grade ethoxylated surfactants, leading to inaccuracies in predicting the hydrophilicity of surfactant blends, which is crucial for various applications including emulsion polymerization and cleaning processes.

Innovation Solution

The implementation of nonlinear mixing equations, such as two-parameter and three-parameter exponential equations, to calculate the characteristic value of surfactant mixes, which better account for the concentration dependence of surfactant values, improving the prediction of surfactant blends' behavior compared to traditional linear mixing rules.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If linear mixing rules are used to calculate characteristic values of surfactant mixes, then the calculation method is simple, but the prediction accuracy of surfactant blend hydrophilicity is poor

Engineering Contradiction:

Improveprediction accuracy of surfactant blend hydrophilicityVSAvoidcomplexity of mixing calculation method

Core Design Contradiction:

Measurement precisionVSDevice complexity

Solution Approach 1:

The patent changes the mathematical model from linear mixing rules to nonlinear mixing equations (specifically geometric mean and harmonic mean equations) to calculate characteristic values. This parameter change in the calculation methodology enables accurate prediction of surfactant blend hydrophilicity while maintaining computational simplicity, directly resolving the contradiction between prediction accuracy and method complexity.

Inventive Principle:

Principle #35Parameter changes

2Reliability

If traditional linear mixing equations are used, then the calculation process is straightforward, but the concentration dependence of surfactant values is not accurately accounted for

Engineering Contradiction:

Improveaccuracy of surfactant blend behavior predictionVSAvoidsimplicity of calculation process

Core Design Contradiction:

ReliabilityVSEase of manufacture

Solution Approach 1:

The patent introduces concentration-dependent parameters through nonlinear mixing equations that replace simple linear combinations. The geometric mean and harmonic mean equations incorporate molar fractions in a way that captures concentration dependence, improving reliability of surfactant blend behavior prediction without significantly complicating the calculation process.

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The patent substitutes the mechanical simplicity of linear arithmetic with mathematical sophistication through geometric and harmonic means. This substitution allows the calculation to capture complex concentration-dependent behavior while remaining computationally accessible, balancing reliability improvement with ease of manufacture.

Inventive Principle:

Principle #28Mechanics substitution (Replace mechanical system)

Data Source

PatentEP4451279A1Use of nonlinear mixing calculations for prediction of hydrophilic lipophilic difference values in digital applications

Publication Date: 2024.10.23 BASF SE

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AI summary

The following relates generally to (i) determining characteristic values of nonionic surfactant mixes, and/or (ii) determining an optimal surfactant. In some embodiments, one or more processors receive indications of first and second nonionic surfactants to be used to form a surfactant mix. The one or more processors may then determine a two-parameter or three-parameter nonlinear equation to calculate a characteristic value of the surfactant mix. In some examples, the nonlinear equation includes a variable of a molar fraction of either the first nonionic surfactant or the second nonionic surfactant.