TH24556A - Method for predicting the chemical or physical properties of crude oil. - Google Patents

Abstract

This invention involves methods for predicting physical properties and Chemical chemistry of crude oil quickly And / or distillation of it Using the combination of gas chromatography and mass spectrometry

Claims (1)

1. Method for predicting the chemical properties of visible functions. Or physical of crude oil, which consists of: (a) selecting at least one property of crude oil or its distillation; (b) selection of reference samples. Such a reference example that contains a specific type of chemical compound present in crude oil. Or the distillation part of it And which know the value of Properties selected in (a) stages: (c) Production of training kits. With a procedure of (1) injection of each reference sample. Into the gas chromatography which interfaces with the mass spectrometer. It causes at least partial separation of the hydrocarbon mixture to form a chemical compound. The retention time of at least partially separated components was recorded. (2) The chemical composition of each reference sample was recorded. Enter the mass spectrometer Under dynamic flow conditions (3) a series of time resolved mass chromatograms for each reference sample (4), calibrating time, retane time. Sun to change it Atmospheric boiling point (5) serial selection of distillation parts, atmospheric boiling point (6) selection from within each boiling point distillation section. A series of molecular and / or fragment ions, such ions, are characteristic of compounds. Or type of chemical compound that is expected of Boiling point distillation section (7) (i) recording the total amount of mass spectrum ion intensity Of each compound or group of characteristic compounds selected in the c (6) stage, and (ii) may be chosen to multiply the total amount of the mass spectral ion intensity of each compound or group of the characteristic chemical compound from 7 (i ) With weighting factors to get weight information. Or percentage volume Either (8) doing data from c (6) and of c (7) (i) or c (7) (ii) is an X-block matrix. (9) Data acquisition of properties selected in (a) for reference samples selected in (b) as Y-block matrix (10) Analysis of data from steps c (8) and c (9) with multicolour technique. The variants include Partial Least Sqaures, Principal Component Regression, or Ridge Regression, to obtain a series of coefficients (d) for crude oil or its distillation into classes c (1) to c (3) in In the same manner as the reference sample, to obtain a series of mass chromatography separated by time (e), repeating steps c (4) through c (8) for each spectrogram from step (d). Where (f) is multiplying the matrix from step (e) by the coefficient from step c (10) to obtain the value of the predicted property. Or properties for crude oil or its distillation 2. Method according to claim 1, where the gas chromatography is capillary gas chromatograph (capillary gas chromatograph) and mass spectrometer. The quadrupole mass spectrometer is a quadrupole mass spectrometer. 3. Method according to claim 1, in which the gas chromatography and mass spectrometer work under reproducible conditions. Clause 1 holds the right to select a series of ions, molecules and / or dissociated ions characterizing a compound or type of compound. This is done using the Law of Chemist 5. Method according to claim 1, in which the selection of a series of ions, molecules and / or dissociated ions characterizes a particular compound or type. The compounds were made using hydrocarbon type analysis. 6. Method according to claim 1, where data from gas chromatography and Mass spectrometer stored in the computer 7. Method according to claim 1, in which information from steps (c) to (f) is done by computer 8. Method according to claim 1, which chemical or physical properties The hydrocarbon mixtures were selected 9. Clause 1, the data was colene 1 0. The retention time windows series selected were analyzed by the hydrocarbon mixture. Integration of type analysis Hydrocarbons with Chemist's Law 1 1. Method according to claim 1, in which the Multi-Variable Correction Technique is Partial Least Squares.