基于成核理论改进的减压波计算模型

doi:10.11949/0438-1157.20250953

摘要/Abstract

摘要：

CO₂管道运输是碳捕集、封存与利用（Carbon Capture Utilization and Storage，CCUS）的重要环节。CO₂具有很强的可压缩性和相变特性，一旦发生泄漏CO₂会产生降压膨胀和强烈的相变，导致在泄漏口产生持续的高压平台为裂纹扩展提供能量，这对管道韧性止裂非常不利。所以建立一种预测CO₂减压波曲线的计算模型，为CO₂管道韧性止裂评价提供理论研究手段是非常有必要的。本文首先根据CO₂的物性特性提出了“类气”和“类液”CO₂的概念。收集了目前公开的类气和类液CO₂快速降压的减压波数据，并结合均相成核理论描述过热和过冷极限对减压平台值进行了分析，以现有的均相等熵模型为基础提出了改进方法。改进后模型关于类气和类液CO₂减压波平台的计算误差分别从10-40%和10-35%降低至±10%以内。

关键词: CO₂, 减压波, 均匀成核, 亚稳态, 过冷过热

Abstract:

CO₂ pipeline transportation is an important link in Carbon Capture Utilization and Storage (CCUS). CO₂ has strong compressibility and phase change characteristics. Once a leak occurs, CO₂ will undergo decompression, expansion, and strong phase change, resulting in a sustained high-pressure platform at the leak site to provide energy for crack propagation, which is very detrimental to pipeline ductile fracture arrest. Therefore, it is necessary to establish a calculation model for predicting the CO₂ decompression wave and provide theoretical methods for evaluating and preventing crack of CO₂ pipelines. Firstly, the concepts of "gas-like" and "liquid-like" CO₂ are proposed based on the physical properties of CO₂. The pressure decompression wave data of gas-like and liquid-like CO₂ are collected and combined with homogeneous nucleation theory to describe the overheating and undercooling limits and analysis the decompression platform values. Based on the existing homogeneous entropy model, an improved method is proposed. The calculation errors of the improved model for both gas-like and liquid-like CO₂ decompression wave platforms have been reduced from 10-40% and 10-35% to within ± 10%.

Key words: CO₂, decompression wave, homogeneous nucleation, metastable state, undercooling and overheating

中图分类号:

TE 88

殷布泽, 黄维和, 欧阳欣, 赵雪峰, 孟岚, 胡其会, 李玉星. 基于成核理论改进的减压波计算模型[J]. 化工学报, DOI: 10.11949/0438-1157.20250953.

Buze YIN, Weihe HUANG, Xin OUYANG, Xuefeng ZHAO, Lan MENG, Qihui HU, Yuxing LI. Improved decompression wave model based on nucleation theory[J]. CIESC Journal, DOI: 10.11949/0438-1157.20250953.

图/表 16

图 1 类气CO2相特性图

Fig. 1 Phase Characteristics of gas-like CO2

图 2 类液CO2相特性图

Fig. 2 Phase Characteristics of liquid-like CO2

图 3 类气CO2密度3D曲面图

Fig. 3 Density 3D surface plot of gas-like CO2

图 4 类液CO2密度3D曲面图

Fig. 4 Density 3D surface plot of liquid-like CO2

图 5 不同临界成核速率下的过冷极限

Fig. 5 Undercooling limits at different critical nucleation rates

图 6 不同临界成核速率下的过热极限

Fig. 6 Overheating limits at different critical nucleation rates

表1 类气CO2减压波实验参数表

Table 1 Decompression wave experimental parameters of gas-like CO2

实验编号	初始压力(MPa)		初始温度(℃)	初始熵值(kJ·kg^-1·K^-1)
Maxey(1983)	6.00		23.2	0.94518
Munkejord (2020) test.3	4.04		10.2	0.98959
Hammer (2025) test.28	5.73		23.4	1.7484
Hammer (2025) test.30	6.39		36.4	1.7909
Hammer (2025) test.31	4.09		16.0	1.8743
Cosham(2012) test.2	3.90		4.9	1.8248
Cosham(2012) test.3	3.91		5.1	1.8250
Cosham(2012) test.4	3.90		20.2	1.9151
Cosham(2012) test.13	3.68		10.9	1.8885
Cosham(2012) test.14	3.68		10.9	1.8885
Cosham(2012) test.16	3.88		5.0	1.0236

图 7 类气CO₂减压波实验降压路径分布 Fig. 7 Distribution of pressure reduction path in gas-like CO₂ decompression wave experiment		图 8 类气减压波模型改进示意图 Fig. 8 Schematic of gas-like CO₂ decompression wave model improvement

表2 类液CO2全尺寸泄漏减压波实验参数表

Table 2 Decompression wave experimental parameters of liquid-like CO2

实验编号	初始压力(MPa)	初始温度(℃)	初始熵值(kJ·kg^-1·K^-1)
Munkejord (2020) test.6	10.4	40	1.3379
Munkejord (2020) test.8	12.22	24.6	1.1440
Log(2024) test.4	12.54	21.1	1.1121
Log(2024) test.19	12.47	10.2	1.0255
Log(2024) test.22	12.48	14.9	1.0625
Log(2024) test.23	12.19	28(31.5)	1.1737
Log(2024) test.24	11.56	34.8(35.8)	1.2459
Log(2024) test.25	12.27	4.6	0.9828
Botros(2016) test.31	11.11	36.5	1.2724
Botros(2016) test.32A	11.27	8.74	1.0211
Cosham(2012) test.20	3.79	0.1	0.9985
Cosham(2012) test.21	4.53	5	1.0382
Cosham(2012) test.22	10.05	20	1.1246
Cosham(2012) test.23	14.94	35.6	1.2098
Cosham(2012) test.24	6.04	20	1.1802
Cosham(2012) test.25	10.09	20	1.1242

图 9 不同液态CO2实验减压路径

Fig. 9 Distribution of pressure reduction path in liquid-like CO2 decompression wave experiment

图 10 S0小于1.15 kJ·kg-1·K-1的过热极限拟合

Fig. 10 Fitting of overheating limit for S0 less than 1.15 kJ·kg-1·K-1

图 11 液态CO2减压波改进示意图

Fig. 11 Schematic of liquid-like CO2 decompression wave model improvement

图 12 改进后的减压波模型计算流程图

Fig. 12 Improved decompression wave model calculation flowchart

图 13 类气CO2减压波对比图

Fig. 13 Comparison of gas-like CO2 decompression waves

图 14 模型改进前后类气CO2减压波平台预测误差图

Fig. 14 Prediction error of gas-like CO2 decompression waves platform before and after model improvement

图 15 类液CO2减压波对比图

Fig. 15 Comparison of liquid-like CO2 decompression waves

图 16 模型改进前后类液CO2减压波平台预测误差图

Fig. 16 Prediction error of liquid-like CO2 decompression waves platform before and after model improvement

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