JP-7855317-B2 - Method for estimating refining efficiency

Inventors

• 辻 浩二

Assignees

• 一般財団法人カーボンニュートラル燃料技術センター
• ＥＮＥＯＳ株式会社

Dates

Publication Date

20260508

Application Date

20210330

Claims (16)

1. A computer-based method for estimating at least one refining efficiency selected from the desulfurization rate and the denitrification rate in the refining reaction of heavy oil, (1) A step of estimating the frequency factor logA of one or more structural factors contained in the heavy oil based on a correction formula in which two or more structural attribute parameters selected from the average total number of rings, the average number of carbon atoms in the side chains, and the average degree of cohesion are variables. (2) A step of estimating the molecular composition of the product oil obtained from the heavy oil based on a refining reaction model using the frequency factor logA obtained in step (1), and (3) A step of estimating the refining efficiency based on the molecular composition of the heavy oil and the molecular composition of the product oil, The aforementioned one or more structure factors are one or more single-core molecules containing one sulfur atom or one nitrogen atom. When the purification efficiency is the desulfurization rate, the correction formula used to estimate the frequency factor logA is: logA (when the structure factor is a non-aromatic single-core molecule containing one sulfur atom) = a1 + b1 × (average degree of aggregation) + c1 × (average total number of rings) logA (when the structure factor is a polycyclic aromatic single-core molecule containing one sulfur atom) = a² + b² × (average degree of aggregation) + c² × (average total number of rings) (a, b, and c are regression coefficients.) And, When the purification efficiency is the denitrification rate, the correction formula used to estimate the frequency factor logA is: logA (when the structure factor is a non-aromatic single-core molecule containing one nitrogen atom) = a1 + b1 × (average degree of cohesion) + c1 × (average total number of rings) + d1 × (average number of carbon atoms in the side chain) logA (when the structure factor is a monocyclic aromatic single-core molecule containing one nitrogen atom) = a² + b² × (average degree of cohesion) + c² × (average total number of rings) + d² × (average number of carbon atoms in the side chain) logA (when the structure factor is a polycyclic aromatic single-core molecule containing one nitrogen atom) = a³ + b³ × (average degree of cohesion) + c³ × (average total number of rings) + d³ × (average number of carbon atoms in the side chain) (a, b, c, and d are regression coefficients.) The method.
2. The correction formula in step (1) above is: The method according to claim 1, obtained by the steps of: determining the correlation between two or more structural attribute parameters selected from the average total number of rings, the average number of carbon atoms in the side chains, and the average degree of cohesion for a plurality of pre-selected standard heavy oils and one or more structural factors in the standard heavy oils; and calculating a correction formula for a frequency factor logA with the two or more structural attribute parameters as variables for one or more structural factors by regression analysis based on the correlation.
3. The method according to claim 1 or 2, wherein the one or more structural factors are two or more structural factors selected from the group consisting of a non-aromatic single-core molecule containing one sulfur atom, a polycyclic aromatic single-core molecule containing one sulfur atom, a non-aromatic single-core molecule containing one nitrogen atom, a monocyclic aromatic single-core molecule containing one nitrogen atom, and a polycyclic aromatic single-core molecule containing one nitrogen atom.
4. The method according to any one of claims 1 to 3, wherein the one or more structural factors are a non-aromatic single-core molecule containing one sulfur atom and a polycyclic aromatic single-core molecule containing one sulfur atom.
5. The method according to claim 4, wherein the purification efficiency is the desulfurization rate.
6. The method according to claim 4 or 5, wherein the structural attribute parameters that are variables in the correction formula include the average total number of rings and the average degree of cohesion.
7. The method according to any one of claims 1 to 3, wherein the one or more structural factors are a non-aromatic single-core molecule containing one nitrogen atom, a monocyclic aromatic single-core molecule containing one nitrogen atom, and a polycyclic aromatic single-core molecule containing one nitrogen atom.
8. The method according to claim 7, wherein the purification efficiency is the denitrification rate.
9. The method according to claim 7 or 8, wherein the structural attribute parameters that are variables in the correction formula include the average total number of rings, the average number of carbon atoms in the side chains, and the average degree of aggregation.
10. The method according to any one of claims 1 to 9, wherein the refining reaction of the heavy oil is carried out using a residual direct desulfurization (RDS) apparatus.
11. A method for operating a petroleum-related apparatus, comprising setting operating conditions based on an estimated value of the refining rate obtained by the method described in any one of claims 1 to 10.
12. An apparatus for estimating at least one refining efficiency, selected from desulfurization rate and denitrification rate, in a heavy oil refining reaction, which performs the method according to any one of claims 1 to 10.
13. A system for a heavy oil refining reaction, comprising the method described in any one of claims 1 to 10, with at least one refining efficiency selected from desulfurization rate and denitrification rate.
14. A computer program for causing the method according to any one of claims 1 to 11, the apparatus according to claim 12, or the system according to claim 13.
15. A recording medium storing the computer program described in claim 14.
16. A computer having the computer program described in claim 14 stored in an internal storage device.

Description

Application of Article 30, Paragraph 2 of the Patent Law 1. Publication Name FY2019 Research and Development Project Report on Structural Analysis and Reaction Analysis of Petroleum, etc., which Forms the Basis for High-Efficiency Petroleum Refining Technology 2. Publication Date March 31, 2020 3. Publisher Japan Petroleum Energy Technology Center [Publications, etc.] 1. Website Address http://www.pecj.or.jp/forum http://www.pecj.or.jp/japanese/jpecforum/2020/pdf/jf015.pdf 2. Publication Date May 11, 2020 3. Publisher Koji Tsuji [Publications, etc.] 1. Website Address https://www.pecj.or.jp/japanese/jpecforum/2020/pdf/jf015.pdf jp/wp-content/uploads/2021/02/JPEC_report_No. 210201.pdf On the same day, it was also sent by email to the person in charge at supporting member companies of the Japan Petroleum Energy Technology Center. 2. Publication date February 12, 2021 3. Publisher Japan Petroleum Energy Technology Center [Publications, etc.] 1. Meeting name Japan Petroleum Institute Kumamoto Conference (50th Petroleum and Petrochemical Symposium) 2. Date held November 13, 2020 3. Publisher Koji Tsuji [Publications, etc.] 1. Address https://confit.atlas.jp/guide/event/jpi2020f/top 2. Publication date November 10, 2020 3. Published by Koji Tsuji [Publications, etc.] 1. Publication address: https://confit.atlas.jp/guide/event/jpi2020f/processings/list 2. Publication date: February 1, 2021 3. Published by: Koji Tsuji This invention relates to a computer-based method for estimating at least one refining efficiency, selected from the desulfurization rate and the denitrification rate, in the refining reaction of heavy oil; an apparatus, system, computer, and method for using the same; and a computer program and recording medium for causing the apparatus to run on the computer. Sulfur and nitrogen compounds contained in petroleum are a cause of poisoning in automobile exhaust gas purification catalysts and are sources of SOx and NOx during combustion. Therefore, reducing sulfur content (sulfur-free) and nitrogen content is a major mission for the petroleum refining industry. Petroleum desulfurization and denitrification are applied to a wide range of oils, from LPG and gasoline to heavy oil and lubricating oil. While different methods are used depending on the type of oil, for atmospheric pressure residue, desulfurization and denitrification methods using direct residual desulfurization (RDS) equipment are the mainstream. On the other hand, in the operation of various petroleum refining facilities, the usual method involves analyzing the raw material oil based on its overall physical properties, such as specific gravity, viscosity, and distillation characteristics (boiling point), and determining operating conditions by referring to past operating records of similar oil types. However, in recent years, the types of imported crude oil have diversified, making it difficult to find similar past data. Furthermore, from the perspective of improving operating efficiency and protecting the environment, simply following past operating records is no longer sufficient. Therefore, instead of viewing petroleum as a whole from a general perspective, such as specific gravity, viscosity, and distillation properties, it has been believed that if we can understand the chemical structure and abundance of the hydrocarbon molecules that make up petroleum, and set operating conditions based on the estimated physical properties obtained from this understanding, we can achieve more objective and efficient operation. However, petroleum is a mixture of a vast number of hydrocarbon molecules, and heavy oils in particular have large molecular weights and contain a great many types of molecules with complex chemical structures. Therefore, identifying the chemical structure of each of these molecules and determining their relative proportions is extremely difficult. In particular, precise analysis of the molecular structure and abundance of sulfur-containing components present in each type of petroleum has not been practically carried out. Until now, in analyzing petroleum at the molecular level and determining its chemical structure, techniques for accurately measuring molecular weight using a Fourier transform ion cyclotron resonance (FOSHU) mass spectrometer, a high-resolution mass spectrometer, have been employed. For example, the methods described in Patent Document 1 or Patent Document 2. In particular, Patent Document 2 describes a method for estimating molecular structure by colliding the molecules constituting petroleum with argon or the like, thereby cleaving the cross-linked portions of the molecules and decomposing them into their core components. The chemical structures of these core components are then determined, and these components are subsequently combined to reconstruct the original molecule. Furthermore, in Patent Documents 3 and 4, the applicant has reported a method for estimating the properties of each component in a multi-