Method for predicating diesel oil group composition by using nuclear magnetic resonance hydrogen spectrum

A technology of proton nuclear magnetic resonance spectroscopy and group composition, which is applied in the direction of measuring devices, instruments, scientific instruments, etc., and can solve the problems of cumbersome operation and long duration of separation and determination processes

Active Publication Date: 2015-11-04
CHINA PETROLEUM & CHEM CORP +1
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

However, when separating diesel components, a large amount of organic reagents such as n-pentane and methylene chloride must be used, and the separation and determination process is cumbersome and takes a long time

Method used

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  • Method for predicating diesel oil group composition by using nuclear magnetic resonance hydrogen spectrum
  • Method for predicating diesel oil group composition by using nuclear magnetic resonance hydrogen spectrum
  • Method for predicating diesel oil group composition by using nuclear magnetic resonance hydrogen spectrum

Examples

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example 1

[0057] The spectrograms were processed by first-order differential, and the calibration model of the hydrogen NMR spectra of the diesel family was established and verified.

[0058] (1) Determination of group composition of diesel samples by standard methods

[0059] A total of 286 different types of diesel samples were collected, and the group composition of each sample was determined by the SH / T0606 method. The content distribution range of each component is shown in Table 1. 246 representative samples were collected to form the calibration set, and 40 samples were randomly selected as the validation set.

[0060] (2) Establish a calibration model with the calibration set samples

[0061] Take 3mL diesel oil sample, preheat it at 30°C for 10 minutes, and measure its proton nuclear magnetic resonance spectrum with a 58MHz nuclear magnetic resonance analyzer. The spectra of 5 samples are shown in figure 1 .

[0062] After the proton nuclear magnetic resonance spectra of 246...

example 2

[0069] The spectrograms were processed by second-order differential, and the calibration model of the hydrogen NMR spectra of the diesel family was established and verified.

[0070] Set up the diesel oil group composition calibration model by the method of example 1, the difference is that the nuclear magnetic resonance spectrum of the diesel oil sample that measures is carried out second-order differential processing, then take chemical shift as 7.4~8.0ppm and chemical shift as 0~4ppm spectrum region The peak intensity is associated with the sample family composition determined by the standard method, and a calibration model for various hydrocarbon components is established, and then the family composition of each sample in the verification set is predicted by the calibration model.

[0071] See Table 2 for the relevant statistical parameters of establishing the calibration model with the samples in the calibration set and verifying it with the samples in the validation set. ...

example 3

[0076] The spectra were processed by first-order and second-order differentials, and a calibration model for the hydrogen NMR spectra of diesel family components was established and verified.

[0077] The method of example 1 establishes the correction model of diesel oil group composition, and the difference is that the proton nuclear magnetic resonance spectrum of the diesel oil sample that measures is carried out first-order differential processing first, carries out second-order differential processing again, then takes chemical shift as 7.4~8.0ppm and chemical shift The peak intensity of the spectral region with a displacement of 0-4ppm is correlated with the sample family composition determined by the standard method, and a calibration model for various hydrocarbon components is established, and then the calibration model is used to predict the family composition of each sample in the verification set.

[0078] See Table 3 for the relevant statistical parameters of establi...

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Abstract

The invention provides a method for predicating diesel oil group composition by using a nuclear magnetic resonance hydrogen spectrum. The method comprises the following steps: (1) collecting various diesel oil samples, and determining the group composition of the diesel oil samples by using a standard method; (2) determining the nuclear magnetic resonance hydrogen spectrum of each collected diesel oil sample; carrying out differential processing on a spectrogram; taking peak intensity with the chemical displacement of 7.4ppm-8.0ppm and a spectrum region of 0-4.0ppm to be correlated with the group composition measured by the standard method; establishing a calibration model by using partial least squares; and (3) determining the nuclear magnetic resonance hydrogen spectrum of the diesel oil sample to be detected; carrying out the differential processing on the spectrogram; and substituting the peak intensity with the chemical displacement of 7.4ppm-8.0ppm and the spectrum region of 0-4.0ppm into the calibration model to obtain the group composition of the diesel oil sample to be detected. The method is high in analysis speed, can test accurately and is convenient to operate.

Description

technical field [0001] The invention relates to a method for predicting the composition of diesel oil family by nuclear magnetic resonance spectrum of diesel oil, specifically, a method for predicting the family composition of diesel oil sample by hydrogen nuclear magnetic resonance spectrum. Background technique [0002] With the development of the world economy, more and more diesel engines are used, resulting in an increasing demand for diesel. As an important petroleum product, the quality of diesel directly affects its combustion and performance. Diesel is a mixture of various hydrocarbons with different C-H groups. The content of aromatics in diesel directly affects the cetane number of diesel and its combustion performance, and has different impacts on the environment, especially the heavy Aromatics. The content of naphthenes in diesel also affects the low temperature fluidity of diesel. In addition, some studies have used the content of naphthenes to correlate the ...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/88
Inventor 冯云霞褚小立田松柏许育鹏
Owner CHINA PETROLEUM & CHEM CORP
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