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Computational Tools for Renewable Materials

Submission Deadline: 30 November 2022 (closed)

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.

Summary

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.


Keywords

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

Published Papers


  • Open Access

    ARTICLE

    Coordinate-Parametric Matrix Model Inspired Square-Conjoint Pattern in Cross Woven for Conventional Bamboo Mat

    Ye Fu, Liwen Deng, Jinbo Hu, Ti Li, Shanshan Chang
    Journal of Renewable Materials, Vol.11, No.12, pp. 4025-4038, 2023, DOI:10.32604/jrm.2023.028454
    (This article belongs to this Special Issue: Computational Tools for Renewable Materials)
    Abstract In the study, it is proposed that a coordinate-parametric matrix model is performed to a square-conjoint pattern of cross woven (SCPCW) in the bamboo mat. The patterns of SCPCW are firstly detected according to the perspective of configuration, which is divided into the basic-monomer shape and the basic combination shape. Secondly, the compositions of design patterns in SCPCW are analyzed to attain the trend of curve shape. Based on the coordinate-parametric matrix model, the specimens of SCPCW are subsequently accomplished to elaborate the woven logic of bamboo mats. The digital innovation of SCPCW, defined by a mathematical resolution, is implemented… More >

    Graphic Abstract

    Coordinate-Parametric Matrix Model Inspired Square-Conjoint Pattern in Cross Woven for Conventional Bamboo Mat

  • Open Access

    ARTICLE

    Molecular Dynamics Simulation of Interface Properties between Water-Based Inorganic Zinc Silicate Coating Modified by Organosilicone and Iron Substrate

    Hengjiao Gao, Yuqing Xiong, Kaifeng Zhang, Shengzhu Cao, Mingtai Hu, Yi Li, Ping Zhang, Xiaoli Liu
    Journal of Renewable Materials, Vol.11, No.4, pp. 1715-1729, 2023, DOI:10.32604/jrm.2022.024023
    (This article belongs to this Special Issue: Computational Tools for Renewable Materials)
    Abstract The interface properties of Fe(101)/zinc silicate modified by organo-siloxane (KH-570) was studied by using the method of molecular dynamics simulation. By calculating the temperature and energy fluctuation of equilibrium state, equilibrium concentration distribution, MSD of layer and different groups, and interaction energy of two interface models, the influencing mechanism on the interface properties of adding organosiloxane into coating system was studied at the atomic scale. It shows that the temperature and energy of interface oscillated in a small range and it was exited in a state of dynamic equilibrium within the initial simulation stage (t < 20 ps). It can… More >

    Graphic Abstract

    Molecular Dynamics Simulation of Interface Properties between Water-Based Inorganic Zinc Silicate Coating Modified by Organosilicone and Iron Substrate

  • Open Access

    ARTICLE

    Fine Characterization and Analysis of Drying Strain of the ELM Board via DIC Technology

    Yuanchu Liu, Xiaodong Zhu, Zhengmin Jin, Yingying Liu, Qingjian Wei, Bonan Liang, Yingchun Cai, Jingyao Zhao
    Journal of Renewable Materials, Vol.11, No.2, pp. 567-580, 2023, DOI:10.32604/jrm.2022.023037
    (This article belongs to this Special Issue: Computational Tools for Renewable Materials)
    Abstract In this paper, the occurrence and development mechanism of strain on the cross-section during the wood drying is explored. Therefore, strain regularity on the cross-section of 50 mm thickness elm (Ulmus rubra) board at the temperature of 40°C and 80°C is detected via digital image correlation technology. Hence, the difference between tangential and radial strain at surface and core layers was denoted. The results showed that strain distribution in the width direction of the board is uneven. Moreover, a large drying shrinkage strain occurs at the near-core layer, while the maximum strain difference reaches 4.08%. Hence, the surface of the… More >

    Graphic Abstract

    Fine Characterization and Analysis of Drying Strain of the ELM Board via DIC Technology

  • Open Access

    ARTICLE

    Numerical Simulation of Vacuum Preloading for Chemically Conditioned Municipal Sludge

    Wenwei Li, Xinjie Zhan, Baotian Wang, Jinyu Zuo
    Journal of Renewable Materials, Vol.11, No.1, pp. 363-378, 2023, DOI:10.32604/jrm.2022.022254
    (This article belongs to this Special Issue: Computational Tools for Renewable Materials)
    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 >

  • Open Access

    ARTICLE

    Simulation Analysis of Stress Field of Walnut Shell Composite Powder in Laser Additive Manufacturing Forming

    Yueqiang Yu, Tingang Ma, Suling Wang, Minzheng Jiang, Yanling Guo, Ting Jiang, Shuaiqi Huang, Ziming Zheng, Bo Yan, Jiyuan Lv
    Journal of Renewable Materials, Vol.11, No.1, pp. 333-347, 2023, DOI:10.32604/jrm.2022.022296
    (This article belongs to this Special Issue: Computational Tools for Renewable Materials)
    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 >

    Graphic Abstract

    Simulation Analysis of Stress Field of Walnut Shell Composite Powder in Laser Additive Manufacturing Forming

  • Open Access

    ARTICLE

    Multi-Layer and Multi-Objective Optimization Design of Supporting Structure of Large-Scale Spherical Solar Concentrator for the Space Solar Power Station

    Yang Yang, Jun Hu, Lin Zhu, Mengchen Pei
    Journal of Renewable Materials, Vol.10, No.11, pp. 2835-2849, 2022, DOI:10.32604/jrm.2022.021840
    (This article belongs to this Special Issue: Computational Tools for Renewable Materials)
    Abstract Space solar power station is a novel renewable energy equipment in space to provide the earth with abundant and continuous power. The Orb-shaped Membrane Energy Gathering Array, one of the alternative construction schemes in China, is promising for collecting space sunlight with a large-scale spherical concentrator. Both the structural and optical performances such as root mean square deformation, natural frequency, system mass, and sunlight blocking rate have significant influences on the system property of the concentrator. Considering the comprehensive performance of structure and optic, this paper proposes a novel mesh grid based on normal polyhedron projection and spherical arc bisection… More >

    Graphic Abstract

    Multi-Layer and Multi-Objective Optimization Design of Supporting Structure of Large-Scale Spherical Solar Concentrator for the Space Solar Power Station

  • Open Access

    ARTICLE

    Drag Reduction Characteristics of Microstructure Inspired by the Cross Section of Barchan Dunes under High Speed Flow Condition

    Jiawei Jiang, Yizhou Shen, Jie Tao, Zhenfeng Jia, Xinyu Xie, Chaojiao Zeng
    Journal of Renewable Materials, Vol.10, No.3, pp. 781-797, 2022, DOI:10.32604/jrm.2022.017230
    (This article belongs to this Special Issue: Computational Tools for Renewable Materials)
    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 >

    Graphic Abstract

    Drag Reduction Characteristics of Microstructure Inspired by the Cross Section of Barchan Dunes under High Speed Flow Condition

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