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 …
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 …
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 …
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 …
reactors based on multiscale model construction and simulation. Firstly, accurate …
Monte Carlo simulation of photoinduced atom-transfer radical polymerization for dynamic microscopic properties
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 …
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 …
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 …
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
Multizone circulating reactor (MZCR) technology is an emerging and advanced olefin
polymerization process, which allows the production of intimate mixtures of polyolefins with …
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 …
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
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 …
phases, maintaining pressure balance is crucial for both reactor stability and achieving …