Special Issue "Computational Tools for Renewable Materials"

Submission Deadline: 30 November 2022
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Guest Editors
Shuang Wang, Professor, Jiangsu University, China.
Shuang Wang is a specialist in Thermochemical Biomass Conversion. He is the vice dean of the School of Energy and Power Engineering, Jiangsu University, China. He received his Ph.D. degree in Thermal Engineering from Shanghai Jiaotong University in 2010. Prof. Wang’s research interests mainly focus on CO2 emission reduction using microalgae, algal pyrolysis and hydrothermal conversion for bio-oil production, algal co-pyrolysis and catalytic co-pyrolysis. He has published more than 80 papers in SCI/EI indexed papers and three books to date. He has also achieved ten invention patents in China.


In recent years, due to high demands for fuels and their consequential environmental crises, renewable materials have received significant attention. The conversion of biomass to bioenergy includes many steps and mechanisms that are not well studied and understood. However, by advances in computational tools such as molecular dynamics simulations and modeling, these mechanisms are becoming more understandable. Renewable materials are made of various biomolecules that play an important role in their conversion to energy. Considering biochemical conversion methods, there are various enzymes that participate in breaking down biomass into its monomer in bioenergy production, and currently, a huge gap in understanding these processes exists. Computational tools can assist not only in understanding these mechanisms it can be applied in designing novel enzymes with higher capability for the conversion of renewable materials. Moreover, in other processes such as pyrolysis and hydrothermal liquefaction, the intermediate molecules and conversion mechanism are not well known. Understanding the mechanisms and enhanced knowledge about these mechanisms would enlighten our understanding of achieving more sustainable conversion platforms and discover new high-value products.


This Special Issue, Computational tools for renewable materials, seeks high-quality works and topics on a better understanding of biomolecules involved in converting renewable materials. This special issue may also consider manuscripts that provide concepts or methodology that can be utilized for the engineering of enzymes involved in biomass conversion. Also, it covers various computational studies involved in the renewable material transformation.

Insilco design, Molecular dynamic simulation, Biomolecule engineering, Enzyme, Conversion mechanisms, Density-functional theory (DFT), sustainable and renewable materials.

Published Papers
  • Numerical Simulation of Vacuum Preloading for Chemically Conditioned Municipal Sludge
  • Abstract Municipal sludge is a sedimentation waste produced during the wastewater process in sewage treatment plants. Among recent studies, pilot and field tests showed that chemical conditioning combined with vacuum preloading can effectively treat municipal sludge. To further understand the drainage and consolidation characteristics of the conditioning sludge during vacuum preloading, a large deformation nonlinear numerical simulation model based on the equal strain condition was developed to simulate and analyze the pilot and field tests, whereas the simulation results were not satisfactory. The results of the numerical analysis of the pilot test showed that the predicted consolidation degree was greater than… More
  •   Views:146       Downloads:56        Download PDF

  • Simulation Analysis of Stress Field of Walnut Shell Composite Powder in Laser Additive Manufacturing Forming
  • Abstract A calculation model of stress field in laser additive manufacturing of walnut shell composite powder (walnut shell/Co-PES powder) was established. The DFLUX subroutine was used to implement the moveable application of a double ellipsoid heat source by considering the mechanical properties varying with temperature. The stress field was simulated by the sequential coupling method, and the experimental results were in good accordance with the simulation results. In addition, the distribution and variation of stress and strain field were obtained in the process of laser additive manufacturing of walnut shell composite powder. The displacement of laser additive manufacturing walnut shell composite… More
  • Graphical Abstract

    Simulation Analysis of Stress Field of Walnut Shell Composite Powder in Laser Additive Manufacturing Forming
  •   Views:332       Downloads:126        Download PDF

  • Drag Reduction Characteristics of Microstructure Inspired by the Cross Section of Barchan Dunes under High Speed Flow Condition
  • Abstract A new type of microstructure inspired by the cross section of barchan dunes was proposed to reduce windage, which was considered as a passive drag reduction technology in aerospace manufacturing field. Computational fluid dynamics method was carried out to discuss the effect of the microstructure on the skin friction reduction under high velocity flow condition. Different microstructure heights were employed to survey the reduction of drag. The results illustrated that the appearance of microstructure led to a generation of pressure drag in non-smooth model (with microstructures inspired by cross section of barchan dune) in contrast to smooth model. However, the… More
  • Graphical Abstract

    Drag Reduction Characteristics of Microstructure Inspired by the Cross Section of Barchan Dunes under High Speed Flow Condition
  •   Views:795       Downloads:589        Download PDF