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从亚稳区宽度和诱导时间数据的累积分布中获得的成核动力学的比较。

Comparison of the Nucleation Kinetics Obtained from the Cumulative Distributions of the Metastable Zone Width and Induction Time Data.

机构信息

Department of Chemical and Materials Engineering, Chang Gung University, Taoyuan 333, Taiwan.

Department of Urology, Chang Gung Memorial Hospital Linkou, Taoyuan 333, Taiwan.

出版信息

Molecules. 2022 May 7;27(9):3007. doi: 10.3390/molecules27093007.

DOI:10.3390/molecules27093007
PMID:35566356
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9099965/
Abstract

A linearized integral model based on classical nucleation theory is applied in this work to determine the interfacial energy and pre-exponential factor using a linear plot from the cumulative distributions of the metastable zone width (MSZW) data for some systems reported in the literature, including isonicotinamide, butyl paraben, dicyandiamide, and salicylic acid. Based on the same criterion for the nucleation point, the interfacial energy and pre-exponential factor are determined using the conventional linear regression method from the cumulative distributions of the induction time data for the same systems. The results indicate that the interfacial energy and pre-exponential factor calculated from the MSZW data are consistent with those calculated from the induction time for the studied systems.

摘要

本文应用基于经典成核理论的线性积分模型,通过对文献中报道的一些体系(包括异烟酸、对羟基苯甲酸丁酯、双氰胺和水杨酸)的亚稳区宽度(MSZW)数据的累积分布进行线性拟合,来确定界面能和指前因子。基于成核点的相同判据,通过对相同体系的诱导时间数据的累积分布进行传统的线性回归,来确定界面能和指前因子。结果表明,从 MSZW 数据计算得到的界面能和指前因子与从诱导时间数据计算得到的界面能和指前因子一致。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/219a66a71e11/molecules-27-03007-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/90fa8796398a/molecules-27-03007-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/e4c1af22f4d2/molecules-27-03007-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/37700a1af246/molecules-27-03007-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/3c55a5ec6f26/molecules-27-03007-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/219a66a71e11/molecules-27-03007-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/90fa8796398a/molecules-27-03007-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/e4c1af22f4d2/molecules-27-03007-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/37700a1af246/molecules-27-03007-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/3c55a5ec6f26/molecules-27-03007-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bf2/9099965/219a66a71e11/molecules-27-03007-g005.jpg

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本文引用的文献

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Soft Matter. 2021 Jul 14;17(27):6627-6636. doi: 10.1039/d1sm00466b.
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Nucleation and growth of cholesteric collagen tactoids: A time-series statistical analysis based on integration of direct numerical simulation (DNS) and long short-term memory recurrent neural network (LSTM-RNN).胆甾相胶原原纤维的成核和生长:基于直接数值模拟 (DNS) 和长短时记忆递归神经网络 (LSTM-RNN) 集成的时间序列统计分析。
J Colloid Interface Sci. 2021 Jan 15;582(Pt B):859-873. doi: 10.1016/j.jcis.2020.08.052. Epub 2020 Aug 17.
3
Modelling the stochastic behaviour of primary nucleation.
模拟初级成核的随机行为。
Faraday Discuss. 2015;179:359-82. doi: 10.1039/c4fd00255e. Epub 2015 Apr 16.
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Measuring induction times and crystal nucleation rates.测量诱导时间和晶体成核速率。
Faraday Discuss. 2015;179:199-214. doi: 10.1039/c4fd00230j. Epub 2015 Apr 13.
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A Stochastic Model for Nucleation Kinetics Determination in Droplet-Based Microfluidic Systems.基于微滴的微流控系统中成核动力学测定的随机模型。
Cryst Growth Des. 2010 May 10;10(6):2515-2521. doi: 10.1021/cg900830y.