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Computer-Aided Polymer Design: Integrating Group Contribution and Molecular Dynamics
Polymer Design Integrating Group Contribution Molecular Dynamics
2023/6/19
Polymers are widely used to manufacture many chemical products. Often, polymers are designed by trial-and-error, which is expensive and time-consuming. In this work, a new optimization-based computer-...
Design and control of a novel side-stream extractive distillation column for separating methanol-toluene binary azeotrope with intermediate boiling entrainer
Side-stream extractive distillation column intermediate boiling entrainer Dynamic control Binary azeotrope Methanol-toluene
2023/6/19
It is innovative and important to perform complex binary azeotrope separation via single distillation column. In the article, design and control of a novel and simple side-stream extractive distillati...
Computer-aided reaction solvent design considering inertness using group contribution-based reaction thermodynamic model
CAMD MINLP model Reaction solvent Group contribution Inertness
2023/6/19
Solvents have been widely used in process manufacturing industries. When involved in liquid-phase organic synthesis reactions, solvents can reduce the activation energy of reactions between the reacta...
Machine learning-based atom contribution method for the prediction of surface charge density profiles and solvent design
atom contribution computer-aided molecular design decomposition-based algorithm machine learning
2023/6/19
Solvents are widely used in chemical processes. The use of efficient model-based solvent selection techniques is an option worth considering for rapid identification of candidates with better economic...
Design and comparison of conventional and side-stream extractive distillation sequences for separating the methanol-toluene binary azeotrope with intermediate boiling entrainer
Side-stream extractive distillation Separation sequences Intermediate boiling entrainer Eco-efficiency analysis Methanol-toluene
2023/6/19
The side-stream extractive distillation (SSED) system is attracting widespread attention due to its high eco-efficiency. In the article, three double-column SSED (DC-SSED) sequences and two single-col...
Integrated solvent-process design methodology based on COSMO-SAC and quantum mechanics for TMQ (2,2,4-trimethyl-1,2-H-dihydroquinoline) production
Solvent design Process design COSMO-SAC Quantum mechanics 2,2,4-trimethyl-1,2-H-dihydroquinoline
2023/6/19
TMQ (2,2,4-trimethyl-1,2-H-dihydroquinoline) is an important antioxidant because of relatively low price and ease of application in rubber production technologies. However, due to the limited experime...
【Soft Matter Lecture 131】By-design Functional Polymeric Materials Enabled by Dynamic Covalent Chemistry
Functional Polymeric Materials Dynamic Covalent Chemistry
2023/5/17
【Soft Matter Lecture 131】By-design Functional Polymeric Materials Enabled by Dynamic Covalent Chemistry
Jacobs has been awarded a contract to design and engineer maintenance systems for the International Thermonuclear Experimental Reactor (ITER) fusion project.
WENRA calls on industry to help expedite reactor design assessments（图）
WEMRA 反应堆设计 西欧核监管机构协会
2023/4/14
The Western European Nuclear Regulators Association (WENRA) has set out the steps that industry must take to ensure the timely, harmonised licensing of small modular reactor (SMR) and advanced modular...
Scientists use computational modeling to design “ultrastable” materials（图）
计算建模 “超稳定”材料 金属有机框架
2023/4/4
Materials known as metal-organic frameworks (MOFs) have a rigid, cage-like structure that lends itself to a variety of applications, from gas storage to drug delivery. By changing the building blocks ...
Rolls-Royce SMR Limited's 470 MWe small modular reactor (SMR) design has successfully completed Step 1 of the UK's Generic Design Assessment (GDA) process and progressed to the next phase.
Modern fabrication tools such as 3D printers can make structural materials in shapes that would have been difficult or impossible using conventional tools.
华南理工大学电子与信息学院薛泉、廖绍伟两位教授指导的Reconfigurable Future学生团队晋级IEEE-APS Student Design Contest半决赛
薛泉 廖绍伟 Reconfigurable Future IEEE-APS Student Design Contest 红外感知 电磁波
2023/2/23
薛泉、廖绍伟俩教授指导的Reconfigurable Future团队参加IEEE天线与传播学会2023年度学生设计竞赛（2023 IEEE AP-S Student Design Contest），成功晋级半决赛。该比赛今年收到来自全球近百个团队提交的方案，最终6个团队进入半决赛。Reconfigurable Future团队由我院学生胡志鹏（博士生）、王宇琦（博士生）、全国海（本科生）和陈雪龙...
IAEA Team in Uzbekistan Concludes Site and External Events Design (SEED) Review for the Country’s First Nuclear Power Plant（图）
原子能机构 核电厂 场址 外部事件设计评审
2023/1/27
An International Atomic Energy Agency (IAEA) team of experts has concluded a five-day mission to Uzbekistan to review the country’s safety processes for evaluating the site of its first nuclear power ...
Academy of Mathematics and Systems Science, CAS Colloquia & Seminars：Sequential Network Design
顺序 网络设计 局部互补性 博弈
2023/1/13
We study the problem of designing efficient network sequentially. In each period, the planner connects two unlinked agents in the network formed in previous periods, then the agents play a game with l...