Method and device for simulating petroleum molecular level separation process

Abstract

The invention provides a method and device for simulating a petroleum molecular level separation process. The method comprises the following steps: (1) formulating a molecular library comprising full-distillation subsection molecules of a petroleum sample and predicating properties of the molecules in the molecular library; (2) calculating and optimizing the content of the molecules in the molecular library and establishing a composition model capable of representing molecule composition of the petroleum sample; (3) dividing a molecule group of the petroleum sample in the composition model into a plurality of virtual components according to properties of the molecules for forming the petroleum sample in a separation process; preserving a mutual transformation mapping rule; (4) calculatingproperties of the virtual components according to the molecule composition of the virtual components; taking each virtual component as a pure component to carry out thermodynamic calculation; (5) reversely deducting the mapping rule to obtain the molecule composition of a separation product in the separation process. According to the method and the device, provided by the invention, molecular level information of the petroleum sample and fractions thereof can be provided and real behaviors of the molecules are described in a flow simulation calculation process.

Description

technical field [0001] The invention belongs to the field of petroleum processing, and in particular relates to a method and a device for simulating the hierarchical separation process of petroleum molecules. Background technique [0002] With the increasingly stringent oil product quality standards and environmental protection requirements, higher requirements are put forward for oil processing technology and product quality. This prompts the process simulation of petroleum processing technology to develop towards the molecular level. [0003] Process simulation is the basis of process design, and it also provides a theoretical basis and foundation for scientific decision-making in terms of transformation and optimization for actual industrial production. Modern process simulation software performs numerical calculations on the division of petroleum based on distillation ranges. That is, oil is cut into a limited number of narrow fractions according to the distillation ra...

AI Technical Summary

Problems solved by technology

[0005] There are some problems in using the traditional method to divide the virtual components: first, the size of the correlation error, the difference between positive and negative is large, and it is difficult to verify the accuracy; second, it does not involve the real behavior of molecules in the process simulation process, which is an empirical processing method

This traditional method also cannot predict the full properties of the product

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