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Knowledge-reused transfer learning for molecular and materials science

Journal of Energy Chemistry 2024年第11期 149-168页

作者： An Chen Zhilong Wang karl luigi loza vidaurre Yanqiang Han Simin Ye Kehao Tao Shiwei Wang Jing Gao Jinjin Li National Key Laboratory of Advanced Micro and Nano Manufacture Technology Shanghai Jiao Tong University Department of Micro/Nano Electronics School of Electronic Information and Electrical Engineering Shanghai Jiao Tong University

Leveraging big data analytics and advanced algorithms to accelerate and optimize the process of molecular and materials design, synthesis, and application has revolutionized the field of molecular and materials science, allowing researchers to gain a deeper understanding of material properties and behaviors,leading to the development of new materials that are more efficient and reliable. However, the difficulty in constructing large-scale datasets of new molecules/materials due to the high cost of data acquisition and annotation limits the development of conventional machine learning(ML) approaches. Knowledgereused transfer learning(TL) methods are expected to break this dilemma. The application of TL lowers the data requirements for model training, which makes TL stand out in researches addressing data quality issues. In this review, we summarize recent progress in TL related to molecular and materials. We focus on the application of TL methods for the discovery of advanced molecules/materials, particularly, the construction of TL frameworks for different systems, and how TL can enhance the performance of models. In addition, the challenges of TL are also discussed.

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Evaluation of Gas Injection Methods for Enhanced Oil Recovery in Jilin Oilfield

Evaluation of Gas Injection Methods for Enhanced Oil Recover...

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作者： karl luigi loza vidaurre 中国石油大学（北京）

学位级别：硕士

Gas injection is one of the oldest methods for enhanced oil *** method has been successfully applied in oilfields all over the *** is a reason why it is still being applied and all senior engineers regard it as a great method,the reason is because gas injection methods not only work,but they are also efficient and ***,as injection methods will continue to be used for many years to come in the oil ***’an reservoir block is part of the Jilin Oilfield,one of the most important Chinese *** has been previously applied to Da’an reservoir,however,and due to the low permeability of the reservoir,economically recoverable reserves of oil have still been *** injection methods have been considered for an enhanced oil recovery process in the reservoir,including a water-alternating-gas injection process（WAG）.This is why the present project focuses on three types of gas to perform these operations: carbon dioxide,nitrogen and natural ***,an extensive literature review is summarized and ***,the minimum miscibility pressure for each gas is determined with the use of a simulation ***,the gas injection processes are simulated under different parameters to establish comparison *** the study on gas injection processes and the simulation cases the following conclusions were stablished:（1）.Miscible carbon dioxide injection processes yield the highest oil recovery factor.（2）.Miscible Carbon Dioxide injection is the best option for EOR to be ***,miscible natural gas injection is an interesting second alternative.（3）.Nitrogen injection processes result in the lowest oil recovery factor.（4）.Immiscible natural gas injection results on an average oil recovery factor while using the least amount of resources（5）.Simultaneous WAG yields the highest recovery factor

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