DIFFUSION

作品数：1650被引量：2593H指数：16
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相关作者：梁宇学轩福贞涂善东何立子崔建忠更多>>
相关机构：浙江大学首都师范大学北京大学中国科学院更多>>
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Thiourea crystal growth kinetics,mechanism and process optimization during cooling crystallization
《Chinese Journal of Chemical Engineering》2024年第9期62-69,共8页Zhongxiang Ding Wei Song Tong Zhou Weihua Cui Changsong Wang 
supported by Priority Academic Program Development of Jiangsu Higher Educatior(PPZY2015A044).
In the cooling crystallization process of thiourea,a significant issue is the excessively wide crystal size distribution(CSD)and the abundance of fine crystals.This investigation delves into the growth kinetics and me...
关键词：THIOUREA CRYSTALLIZATION Growth kinetics Process optimization DIFFUSION Surface reaction 
A cellular automata framework for porous electrode reconstruction and reaction-diffusion simulation
《Chinese Journal of Chemical Engineering》2023年第8期262-274,共13页Jindong Dai Chi Zhai Jiali Ai Guangren Yu Haichao Lv Wei Sun Yongzhong Liu 
the National Natural Science Foundation of China(21878012)。
Due to the high charge transfer efficiency compared to that of non-porous materials,porous electrodes with larger surface area and thinner solid pore walls have been widely applied in the lithium-ion battery field.Sin...
关键词：Mathematical modeling Lithium-ion battery Cellular automata DIFFUSION ELECTROCHEMISTRY Dynamic simulation 
Multi-scale simulation of diffusion behavior of deterrent in propellant被引量：1
《Chinese Journal of Chemical Engineering》2023年第2期29-35,共7页Pan Huang Zekai Zhang Yuxin Chen Changwei Liu Yong Zhang Cheng Lian Yajun Ding Honglai Liu 
sponsored by the National Natural Science Foundation of China (91834301, 22078088, 22005143);the National Natural Science Foundation of China for Innovative Research Groups (51621002)。
Concentration distribution of the deterrent in single-base propellant during the process of firing plays an important role in the ballistic properties of gun propellant in weapons. However, the diffusion coefficient c...
关键词：Multi-scale simulation DIFFUSION DETERRENT PROPELLANT Onion model Molecular dynamics simulation 
Chemical looping oxidative propane dehydrogenation controlled by oxygen bulk diffusion over FeVO_(4)oxygen carrier pellets被引量：1
《Chinese Journal of Chemical Engineering》2023年第1期409-420,共12页Hongbo Song Wei Wang Jiachen Sun Xianhui Wang Xianhua Zhang Sai Chen Chunlei Pei Zhi-Jian Zhao 
the National Key Research and Development Program of China (2021YFA1501302);the National Natural Science Foundation of China (22122808, U20B6002);the Haihe Laboratory of Sustainable Chemical Transformations and the Program of Introducing Talents of Discipline to Universities (BP0618007) for financial support;supported by the XPLORER PRIZE by Tencent Foundation
The oxygen distribution and evolution within the oxygen carrier exert significant influence on chemical looping processes.This paper describes the influence of oxygen bulk diffusion within FeVO4 oxygen carrier pellets...
关键词：Chemical looping DIFFUSION Reaction kinetics Oxygen carriers OXIDATION 
The role of diffusion in the nucleation of calcium carbonate
《Chinese Journal of Chemical Engineering》2022年第3期275-281,共7页Xiangyu Dou Haoyang Huang Yongsheng Han 
financial support from National Natural Science Foundation of China(91934302,21978298,U1862117);the Innovation Academy for Green Manufacture,Chinese Academy of Sciences(IAGM-2019-A13);supported by the project from the State Key Laboratory of Multiphase Complex Systems(MPCS-2017-A-01);the MPCS Facility Upgradation Program。
Nucleation widely exists in nature,from cloud formation to haze generation.The classical nucleation theory(CNT)was created to describe the nucleation process,but it fails to predict many experimental phenomena due to ...
关键词：Calcium carbonate NUCLEATION SIMULATION DIFFUSION DYNAMICS 
Large-scale simulations of CO_(2) diffusion in metal-organic frameworks with open Cu sites
《Chinese Journal of Chemical Engineering》2022年第2期1-9,共9页Tongan Yan Minman Tong Qingyuan Yang Dahuan Liu Yandong Guo Chongli Zhong 
supported by National Key Research and Develop-ment Program of China(2016YFB0600901);the Natural Science Foundation of China(22038010,21878229,22078024 and 21978005).
Understanding CO_(2) diffusion behavior in functional nanoporous materials is beneficial for improving the CO_(2) adsorption,separation,and conversion performances.However,it is a great challenge for studying the diff...
关键词：Metal-organic frameworks Open Cusites Molecular simulations Carbon dioxide DIFFUSION 
Testing and validation of a self-diffusion coefficient model based on molecular dynamics simulations被引量：1
《Chinese Journal of Chemical Engineering》2021年第8期138-145,共8页Xia Chen Yan Wang Lianying Wu Weitao Zhang Yangdong Hu 
supported by the National Natural Science Foundation of China(21776264 and 21376231).
In our previous work,we endowed a new physical meaning of self-diffusion coefficient in Fick’s law,which proposed that the diffusion coefficient can be described as the product of the characteristic length and the di...
关键词：DIFFUSION Molecular simulation Parameter identification Characteristic length Diffusion velocity 
Numerical study on effects of the cofferdam area in liquefied natural gas storage tank on the leakage and diffusion characteristics of natural gas被引量：3
《Chinese Journal of Chemical Engineering》2021年第1期228-241,共14页Zirong Lin Shuangfeng Wang Shuxun Fu Jiepeng Huo 
supported by the Funding for post-doctoral research in Foshan City。
The leakage and diffusion characteristics of natural gas were investigated in the condition of the leakage of liquefied natural gas(LNG) in the storage tank.Fluent was adopted to simulate the process in a series of th...
关键词：Natural gas Leakage and diffusion COFFERDAM Numerical simulation 
Understanding self-accelerated water diffusion within poly-lactic acid via molecular dynamics simulation被引量：1
《Chinese Journal of Chemical Engineering》2019年第4期759-764,共6页Xiaohui Wang Jiachen Li Li Zhang 
Supported by the Scientific Developing Foundation of Tianjin Municipal Education Commission(2017SK055);the Project Grants 521 Talents Cultivation of Zhejiang Sci-Tech University
Poly-lactic acid(PLA) is widely used as a controlled drug release material and the diffusion property of water within the polymer matrix is closely related to the drug release profile. This paper studies the water dif...
关键词：Water DIFFUSION COEFFICIENT Controlled RELEASE MOLECULAR dynamic simulation 
Experimental and simulation study of nylon 6 solid–liquid extraction process
《Chinese Journal of Chemical Engineering》2018年第5期1022-1030,共9页Chunxi Qin Jie Tang Fenglei Bi Zhenhao Xi Ling Zhao 
Supported by the National Key Research and Development Program of China(2016YFB0302701);the Shanghai Rising-Star Program(16QB140130);the 111 Project(B08021)
The solid–liquid extraction process of nylon 6 to eliminate small molecules, i.e., caprolactam(CL), cyclic dimers(CD) and cyclic trimers(CT), is investigated in detail by both batch extraction experiments and numeric...
关键词：Solid-liquid extraction EQUILIBRIUM DIFFUSION Numerical simulation 
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