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 37 PDF 23

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 51 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 53 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 44 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 63 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 84 PDF 26

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 188 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 29 PDF 20

An integrated approach for machine-learning-based system identification of dynamical systems under control: application towards the model predictive control of a highly nonlinear reactor system

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 237-250 doi:10.1007/s11705-021-2058-6

Abstract 73 PDF 23

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 63 PDF 19

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 373 PDF 32

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 48 PDF 16

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 199 PDF 18

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 171 PDF 23