End-cap modeling on the thienyl-substituted benzodithiophene trimer-based donor molecule for achieving higher photovoltaic performance

MH Maqsood, RA Khera, RF Mehmood… - Journal of Molecular …, 2023 - Elsevier
Despite the substantial advancements in organic solar cells (OSCs), the best devices still
have quite low efficiencies due to less focus on donor molecules. With the intention to …

Mathematical versus commercial software modeling for Ziegler-Natta catalyzed gas-phase polymerization in fluidized-bed reactors: A comparative review and …

ES Sbaaei, MM Kamal, TS Ahmed - Powder Technology, 2023 - Elsevier
Integrating different influencing aspects in Ziegler-Natta catalyzed gas-phase polymerization
industrial fluidized bed reactors (FBRs) is challenging and requires new modeling …

Core-shell equivalent reactor network model to bridging CFD and process simulations of a fluidized bed reactor

Y Du, H Cheng, S Li, X Chen, Y Li, W Ren… - Chemical Engineering …, 2024 - Elsevier
Equivalent reactor network (ERN) is expected to narrow the gap between the computational
fluid dynamics (CFD) and process simulations of a fluidized bed reactor (FBR). In view of …

Methodology for designing solution polymerization reactors based on multiscale model construction and simulation

XB Zhang, K Wang, T Yang, S Ma, J Lei, Q Xu… - Chemical Engineering …, 2023 - Elsevier
This work aims to develop a reliable methodology for designing solution polymerization
reactors based on multiscale model construction and simulation. Firstly, accurate …

Monte Carlo simulation of photoinduced atom-transfer radical polymerization for dynamic microscopic properties

R Liu, X Lin, X Chen, A Armaou - Chemical Engineering Science, 2023 - Elsevier
Atom-transfer radical polymerization (ATRP) is a powerful and versatile technique for the
synthesis of well-defined polymers with precise control over the molecular weight and …

Novel kinetic modeling strategy for industrial-scale UNIPOL polypropylene with Ziegler-Natta catalyst

Z Chen, Y Han, Z Geng - Chemical Engineering Journal, 2024 - Elsevier
Polypropylene (PP) is a synthetic resin with exceptional physical and chemical properties,
making it suitable for various household and industrial applications. However, as the …

Improved dragonfly optimization algorithm based on quantum behavior for multi-objective optimization of ethylene cracking furnace

X Wang, Z Geng, L Chen, Y Han - Swarm and Evolutionary Computation, 2024 - Elsevier
Ethylene is one of the important basic raw materials for the modern chemical production,
accounting for over 75% of petrochemical products. And the ethylene cracking furnace is …

Simulation of Molecular and Particle Properties of Polypropylene Produced in Multizone Circulating Reactors

YN Yang, H Liu, LT Zhu, J Jin, XB Zhang… - Industrial & …, 2023 - ACS Publications
Multizone circulating reactor (MZCR) technology is an emerging and advanced olefin
polymerization process, which allows the production of intimate mixtures of polyolefins with …

Low‐Temperature Upcycling of Polypropylene Waste into H2 Fuel via a Novel Tandem Hydrothermal Process

H Su, D Xu, T Li, L Zhu, S Wang - ChemSusChem, 2024 - Wiley Online Library
Plastic waste is a promising and abundant resource for H2 production. However, upcycling
plastic waste into H2 fuel via conventional thermochemical routes requires relatively …

Modeling and analysis of polypropylene copolymer properties and pressure stability for integrated tubular loop reactor and MZCR

YN Yang, JP Han, YP Ma, LT Zhu, YN Zhou… - Chemical Engineering …, 2024 - Elsevier
In the context of the emerging multizone circulating reactor (MZCR) operating with gas–solid
phases, maintaining pressure balance is crucial for both reactor stability and achieving …