Computer-Aided Molecular Design of Double-Salt Ionic Liquid Solvents for Extractive Distillation with the COSMO-SAC and Genetic Algorithm

2021 ◽  
Author(s):  
Shuang Xu ◽  
Xianbao Cui ◽  
Yaxin Xing ◽  
Jiahao Di ◽  
Xuemei Zhang ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
Ionic Liquid ◽  
Molecular Design ◽  
Extractive Distillation ◽  
Double Salt ◽  
Computer Aided

A molecular design method based on the COSMO-SAC model for solvent selection in ionic liquid extractive distillation

AIChE Journal ◽  
2016 ◽  
Vol 62 (8) ◽  
pp. 2853-2869 ◽  
Author(s):  
Jing Fang ◽  
Rui Zhao ◽  
Weiyi Su ◽  
Chunli Li ◽  
Jing Liu ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Molecular Design ◽  
Design Method ◽  
Extractive Distillation ◽  
Solvent Selection

scholarly journals Computer-aided ionic liquid design for alkane/cycloalkane extractive distillation process

2019 ◽  
Vol 4 (2) ◽  
pp. 154-165 ◽  
Author(s):  
Zhen Song ◽  
Xinxin Li ◽  
He Chao ◽  
Fan Mo ◽  
Teng Zhou ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Extractive Distillation ◽  
Distillation Process ◽  
Computer Aided

Ionic liquid design for enhanced carbon dioxide capture by computer-aided molecular design approach

2015 ◽  
Vol 17 (5) ◽  
pp. 1301-1312 ◽  
Author(s):  
Fah Keen Chong ◽  
Dominic C. Y. Foo ◽  
Fadwa T. Eljack ◽  
Mert Atilhan ◽  
Nishanth G. Chemmangattuvalappil
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquid ◽  
Molecular Design ◽  
Carbon Dioxide Capture ◽  
Design Approach ◽  
Computer Aided

Formulation of Colors Using a Genetic Algorithm

2012 ◽  
Vol 17 (4) ◽  
pp. 241-244
Author(s):  
Cezary Draus ◽  
Grzegorz Nowak ◽  
Maciej Nowak ◽  
Marcin Tokarski
Keyword(s):  
Genetic Algorithm ◽  
Genetic Algorithms ◽  
Production Process ◽  
Computer Technology ◽  
Manual Method ◽  
Apply Genetic ◽  
Computer Aided ◽  
Multiple Samples ◽  
Plastics Industry

Abstract The possibility to obtain a desired color of the product and to ensure its repeatability in the production process is highly desired in many industries such as printing, automobile, dyeing, textile, cosmetics or plastics industry. So far, most companies have traditionally used the "manual" method, relying on intuition and experience of a colorist. However, the manual preparation of multiple samples and their correction can be very time consuming and expensive. The computer technology has allowed the development of software to support the process of matching colors. Nowadays, formulation of colors is done with appropriate equipment (colorimeters, spectrophotometers, computers) and dedicated software. Computer-aided formulation is much faster and cheaper than manual formulation, because fewer corrective iterations have to be carried out, to achieve the desired result. Moreover, the colors are analyzed with regard to the metamerism, and the best recipe can be chosen, according to the specific criteria (price, quantity, availability). Optimaization problem of color formulation can be solved in many diferent ways. Authors decided to apply genetic algorithms in this domain.

Optimal Design of Novel Precursors Materials for the Atomic Layer Deposition using Computer-Aided Molecular Design

2021 ◽  
pp. 116416
Author(s):  
Mina Shahmohammadi ◽  
Rajib Mukherjee ◽  
Christos G. Takoudis ◽  
Urmila M. Diwekar
Keyword(s):  
Optimal Design ◽  
Atomic Layer Deposition ◽  
Molecular Design ◽  
Atomic Layer ◽  
Layer Deposition ◽  
Computer Aided

Organic Dye-Sensitized Ionic Liquid Based Solar Cells: Remarkable Enhancement in Performance through Molecular Design of Indoline Sensitizers

2008 ◽  
Vol 120 (10) ◽  
pp. 1949-1953 ◽  
Author(s):  
Daibin Kuang ◽  
Satoshi Uchida ◽  
Robin Humphry-Baker ◽  
Shaik M. Zakeeruddin ◽  
Michael Grätzel
Keyword(s):  
Ionic Liquid ◽  
Solar Cells ◽  
Molecular Design ◽  
Organic Dye ◽  
Dye Sensitized
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