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Crystal random nucleation analysis method and system

A nucleation and crystallization technology, applied in special data processing applications, instruments, electrical digital data processing, etc., can solve problems such as unsuitability, difficulty in fitting results with sample volume, inaccurate analysis results, etc.

Inactive Publication Date: 2018-09-14
SHENZHEN GRADUATE SCHOOL TSINGHUA UNIV
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Problems solved by technology

[0004] However, the former handles the nucleation induction time linearly, and its nucleation probability distribution is a discrete rather than continuous function, which leads to inaccurate analysis results. In addition, it has high requirements for the sample collection of nucleation experiments, less than 100 data points It is difficult to get a better fitting result if the sample size is large
The latter can only analyze the nucleation data of single-component crystals (natural gas hydrate) collected under the continuous cooling experiment process. At the same time, the model has a constant effect on the temperature, which cannot simulate the effect of temperature on the random nucleation of crystals in practice. influence, and the model is very sensitive to the reaction temperature, so it is not suitable for data analysis of crystal nucleation experiments at lower temperatures, that is, under higher subcooling conditions

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  • Crystal random nucleation analysis method and system
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  • Crystal random nucleation analysis method and system

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Embodiment 1

[0137] A kind of methane-propane natural gas hydrate in pure water system and 50ppm polyacetone system crystal stochastic nucleation data analysis method, comprises the following steps:

[0138] (1) Acquisition of crystal nucleation data: according to the isothermal method, a set of nucleation induction times to be analyzed, including m being 12 to 15 repeated experiments, was measured.

[0139] For each experiment, the nucleation induction time data acquisition steps are as follows:

[0140] (1-1) By controlling the reaction conditions such as temperature and pressure, it can be specifically: inject the reaction fluid into the crystal growth reactor or container. If high pressure conditions are required, the reaction system will be gradually cooled to the required temperature by controlling the experimental module. temperature and pressure conditions. If it involves the dissolution of high-pressure gas, such as the nucleation and growth of natural gas hydrate, it is necessar...

Embodiment 2

[0177] A crystal random nucleation data analysis system, comprising: a crystal nucleation data acquisition module, a nucleation model acquisition module, and an analysis result acquisition module;

[0178] The data acquisition module is used to acquire a group of nucleation induction times to be analyzed including m=12 to 15 repeated experiments determined by the experimental constant temperature method, and mark the abnormal breakpoint data;

[0179] The nucleation model acquisition module is connected with the data acquisition module, and is used to establish the stochastic nucleation maximum likelihood equation for m repeated experiments to obtain fitting nucleation lag time:

[0180]

[0181] Among them, t 1:m is the shortest nucleation induction time observed in m repeated experiments; (t 1:m -τ 0 ) is a penalty term to ensure that the maximum likelihood equation does not become the nucleation lag time τ 0 monotone function; t i is the induced nucleation time obser...

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Abstract

The invention discloses a crystal random nucleation data analysis method and system. The method comprises the following steps of (1) determining a group of nucleation induction times, to be analyzed,measured by m repeated experiments according to a constant temperature method; (2) acquiring a random nucleation maximum likelihood equation for fitting a nucleation lagging time obtained relative tom repeated experiments; (3) performing solving under the condition of maximum likelihood, and acquiring the nucleation rate and the nucleation lagging time, with the probability maximization, of the maximum likelihood equation; and (4) performing integral computation to obtain an accumulation nucleation probability corresponding to the nucleation induction time. The system comprises a crystal nucleation data acquisition module, a nucleation model acquisition module and an analysis result acquisition module. The method and system provided by the invention provide a convenient and rapid sciencetool to perform crystal nucleation kinetic studies and comparison of nucleation rates under different experimental conditions.

Description

technical field [0001] The invention belongs to the technical field of crystal nucleation, and more specifically relates to a crystal random nucleation analysis method and system. Background technique [0002] Due to the randomness of crystal nucleation, a large number of repeated experiments are usually required in the experimental stage to collect important nucleation data, such as induction time, and then analyze key parameters such as nucleation rate and crystal growth rate to compare the results of the experimental group with the reference group . However, on the one hand, a large number of repeated experiments means a large investment of manpower and material resources. On the other hand, whether the mathematical tools for analyzing crystal nucleation data are complete is crucial to the qualitative and quantitative analysis of the final experimental results. [0003] The current stochastic nucleation analysis methods for crystals include the Toschev constant temperatu...

Claims

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Application Information

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IPC IPC(8): G06F17/50
CPCG06F30/20
Inventor 陈道毅柯伟
Owner SHENZHEN GRADUATE SCHOOL TSINGHUA UNIV