Method for predicting friction coefficient of lubricants using special additives according to chemical structures

A technology of friction coefficient and chemical structure, applied in special data processing applications, electrical digital data processing, instruments, etc., can solve problems such as lack of theoretical guidance, achieve the effect of reducing risks and research costs, and improving development efficiency

Inactive Publication Date: 2014-04-02
WUHAN POLYTECHNIC UNIVERSITY
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Problems solved by technology

[0002] At present, when people are looking for lubricating oil additives that can meet the needs of different working conditions and have better performance, they must carry out a lot of experimental work to modify or synthesize new potential additive molecules, and then test the tribological properties and screen a large number of them. , but in fact the whole process lacks clear theoretical guidance, and it is difficult to avoid a certain degree of blindness

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  • Method for predicting friction coefficient of lubricants using special additives according to chemical structures
  • Method for predicting friction coefficient of lubricants using special additives according to chemical structures
  • Method for predicting friction coefficient of lubricants using special additives according to chemical structures

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Embodiment Construction

[0032] The technical solutions of the present invention will be clearly and completely described below in conjunction with specific embodiments. All the following examples are carried out in the SYBYL analysis software, a total of 30 lubricant additives, including triazine, benzothiazole, benzotriazole, benzotetrazolium and imidazole and other five core compounds as additive molecules , Disperse in the base oil liquid paraffin, carry out the tribological performance test, and obtain the average friction coefficient. The friction coefficient measurement is calculated using Equation 1.

[0033] The structure of the lubricant is generated in SYBYL and energy is minimized. The structural parameters we use include molecular performance parameters and quantum parameters. The calculation of all these parameters is carried out in DISCOVERY STUDIO software.

[0034] Artificial neural network is used for regression to study the relationship between friction coefficient measurement and str...

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Abstract

A method for predicting the friction coefficient of lubricants using special additives according to chemical structures mainly includes the steps of firstly, generating the chemical structure of lubricant friction reducing additive molecules used for modeling in chemical software; secondly, optimizing the chemical structure; thirdly, calculating the structural parameters of each additive molecule; fourthly, mathematically preprocessing the average friction coefficient obtained by the friction experiment of the lubricant using one additive to obtain the magnitude of the friction coefficient; fifthly, using regression to building a quantitative prediction model between the magnitude of the friction coefficient and the structural parameters; sixthly, cross verifying the prediction model; seventhly, calculating the sensitivity of each structural parameter influencing the magnitude of the friction coefficient according to the prediction model, and speculating the optimal structural features of the lubricant additives; eighthly, predicting the average friction coefficient of the lubricant used under the influence of one additive. By the method, the lubricant additive development efficiency can be increased.

Description

Technical field [0001] The invention relates to the field of design, screening and tribological performance prediction of lubricating oil additives, in particular to a method for predicting the friction coefficient of lubricating oil using specific lubricating oil additives based on chemical structure, which uses tribological quantitative structure-activity relationship to predict and assist design And screening lubricant additives with excellent anti-friction properties. Background technique [0002] At present, when people are looking for lubricating oil additives that can meet the needs of different working conditions and have better performance, a lot of experimental work must be carried out to modify or synthesize new potential additive molecules, and then to test the tribological properties and screen a lot , But in fact, the whole process lacks clear theoretical guidance, and it is difficult to avoid blindness. Therefore, if it is possible to predict the anti-friction per...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F17/50
Inventor 高新蕾戴康
Owner WUHAN POLYTECHNIC UNIVERSITY
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