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2022, Vol.16, Issue.2

Contents Volume 16 · Issue 2 · 2022. Pages 137-331 14 articles

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Multiscale process systems engineering—analysis and design of chemical and energy systems from molecular design up to process optimization

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 137-140 doi:10.1007/s11705-021-2135-x

Abstract 46 PDF 23

RESEARCH ARTICLE

Molecular level understanding of CO2 capture in ionic liquid/polyimide composite membrane

Linlin You, Yandong Guo, Yanjing He, Feng Huo, Shaojuan Zeng, Chunshan Li, Xiangping Zhang, Xiaochun Zhang

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 141-151 doi:10.1007/s11705-020-2009-7

Abstract 54 PDF 23

A computational toolbox for molecular property prediction based on quantum mechanics and quantitative structure-property relationship

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 152-167 doi:10.1007/s11705-021-2060-z

Abstract 55 PDF 21

Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular design framework

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 168-182 doi:10.1007/s11705-021-2056-8

Abstract 50 PDF 21

Using machine learning models to explore the solution space of large nonlinear systems underlying flowsheet simulations with constraints

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 183-197 doi:10.1007/s11705-021-2073-7

Abstract 67 PDF 23

Dynamic modelling and simulation of a post-combustion CO capture process for coal-fired power plants

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 198-209 doi:10.1007/s11705-021-2057-7

Abstract 90 PDF 27

RESEARCH ARTICLE

Decision support for the development, simulation and optimization of dynamic process models

Norbert Asprion, Roger Böttcher, Jan Schwientek, Johannes Höller, Patrick Schwartz, Charlie Vanaret, Michael Bortz

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 210-220 doi:10.1007/s11705-021-2046-x

Abstract 190 PDF 20

Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 221-236 doi:10.1007/s11705-021-2061-y

Abstract 35 PDF 21

Synergistic optimization framework for the process synthesis and design of biorefineries

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 251-273 doi:10.1007/s11705-021-2071-9

Abstract 66 PDF 19

RESEARCH ARTICLE

Hybrid method integrating machine learning and particle swarm optimization for smart chemical process operations

Haoqin Fang, Jianzhao Zhou, Zhenyu Wang, Ziqi Qiu, Yihua Sun, Yue Lin, Ke Chen, Xiantai Zhou, Ming Pan

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 274-287 doi:10.1007/s11705-021-2043-0

Abstract 381 PDF 34

Automated synthesis of steady-state continuous processes using reinforcement learning

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 288-302 doi:10.1007/s11705-021-2055-9

Abstract 53 PDF 16

RESEARCH ARTICLE

Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization

Ao Yang, Yang Su, Tao Shi, Jingzheng Ren, Weifeng Shen, Teng Zhou

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 303-315 doi:10.1007/s11705-021-2044-z

Abstract 205 PDF 19

Novel eco-efficient reactive distillation process for dimethyl carbonate production by indirect alcoholysis of urea

Iulian Patraşcu, Costin S. Bîldea, Anton A. Kiss

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 316-331 doi:10.1007/s11705-021-2047-9

Abstract 174 PDF 23