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ChemEngineering
Special Issues
Engineering of Carbon-Based Nano/Micromaterials
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Engineering of Carbon-Based Nano/Micromaterials

A special issue of ChemEngineering (ISSN 2305-7084).

Deadline for manuscript submissions: closed (25 August 2024) | Viewed by 4751

Special Issue Editor

Dr. Ştefan-Ovidiu Dima

E-Mail Website
Guest Editor
Department of Bioresources, National Institute for Research & Development in Chemistry and Petrochemistry ICECHIM, 060021 Bucharest, Romania
Interests: nanomaterials; chemical engineering; nano(bio)composites; mass/heat transfer; (bio)polymer engineering; biomass processing
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Carbon is the “element of life” and the “diamond” element in chemical bonding, with millions of combinations. Without aiming at the impossible task to comprehend all aspects of carbon chemistry, we propose to gather in this Special Issue some relevant engineering aspects of carbon behavior and interactions in nano/micromaterials, -composites, -hybrids, hydro- or aerogels and/or in different experimental conditions.

Aspects regarding the synthesis, characterization, and physical, chemical, mechanical, and electrical properties of carbon nano/micromaterials and their applications are also welcome. Particular chemical engineering aspects such as mass and heat transfer, molecular interactions, mathematical modeling, and simulation of chemical processes involving carbon nano/micromaterials are strongly encouraged.

We welcome the submission of both original research articles and topical reviews, in order to better understand, recall, substantiate, or rethink carbon knowledge.

Dr. Ştefan-Ovidiu Dima
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. ChemEngineering is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • carbon
  • nano/micromaterials
  • engineering
  • nano/microcomposites
  • molecular interactions
  • modeling and simulation

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Published Papers (3 papers)

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Research

22 pages, 5377 KiB  
Article
Effect of Volume Fraction of Carbon Nanotubes on Structure Formation in Polyacrylonitrile Nascent Fibers: Mesoscale Simulations
by Pavel Komarov, Maxim Malyshev, Pavel Baburkin and Daria Guseva
ChemEngineering 2024, 8(5), 97; https://doi.org/10.3390/chemengineering8050097 - 26 Sep 2024
Viewed by 1079
Abstract
We present a mesoscale model and the simulation results of a system composed of polyacrylonitrile (PAN), carbon nanotubes (CNTs), and a mixed solvent of dimethylsulfoxide (DMSO) and water. The model describes a fragment of a nascent PAN/CNT composite fiber during coagulation. This process [...] Read more.
We present a mesoscale model and the simulation results of a system composed of polyacrylonitrile (PAN), carbon nanotubes (CNTs), and a mixed solvent of dimethylsulfoxide (DMSO) and water. The model describes a fragment of a nascent PAN/CNT composite fiber during coagulation. This process represents one of the stages in the production of PAN composite fibers, which are considered as precursors for carbon fibers with improved properties. All calculations are based on dynamic density functional theory. The results obtained show that the greatest structural heterogeneity of the system is observed when water dominates in the composition of the mixed solvent, which is identified with the conditions of a non-solvent coagulation bath. The model also predicts that the introduction of CNTs can lead to an increase in structural heterogeneity in the polymer matrix with increasing water content in the system. In addition, it is shown that the presence of a surface modifier on the CNT surface, which increases the affinity of the filler to the polymer, can sufficiently reduce the inhomogeneity of the nascent fiber structure. Full article
(This article belongs to the Special Issue Engineering of Carbon-Based Nano/Micromaterials)
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15 pages, 4641 KiB  
Article
Synthesis Method Comparison of N-Doped Carbons for Electrochemical Energy Storage
by Roberts Palmbahs, Peteris Lesnicenoks, Ainars Knoks, Virginija Vitola and Janis Kleperis
ChemEngineering 2024, 8(4), 80; https://doi.org/10.3390/chemengineering8040080 - 5 Aug 2024
Viewed by 1122
Abstract
This study investigates nitrogen-doped carbon synthesis and electrochemical properties as electrode material for energy storage devices, an additional focus of the work is on the electrochemical exfoliation synthesis of nitrogen-doped carbon using various precursors and doping methods. The physical properties of the synthesized [...] Read more.
This study investigates nitrogen-doped carbon synthesis and electrochemical properties as electrode material for energy storage devices, an additional focus of the work is on the electrochemical exfoliation synthesis of nitrogen-doped carbon using various precursors and doping methods. The physical properties of the synthesized sample are characterized using X-ray photoelectron spectroscopy, scanning electron microscopy, and Raman spectroscopy. The electrochemical properties of the N-doped carbons are studied using cyclic voltammetry and galvanostatic charge-discharge cycling. Finally, the work explores the potential application of the N-doped carbons as electrode material for energy storage devices, such as supercapacitors. The results show that N-doped carbons exhibit electrochemical performance superior to that of graphene oxide, with higher electrical capacitance. The results demonstrate the potential of N-doped carbons as high-performance electrode materials for electrochemical energy storage applications. This paper aims to explain the advantages of N-doping in carbon materials more precisely in graphene and the use of these materials in creating electrodes for application in supercapacitors and batteries. Full article
(This article belongs to the Special Issue Engineering of Carbon-Based Nano/Micromaterials)
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20 pages, 2204 KiB  
Article
Partial Replacement of Carbon Black with Graphene in Tire Compounds: Transport Properties, Thermal Stability and Dynamic Mechanical Analysis
by Krishna Prasad Rajan, Aravinthan Gopanna, Mohammed Rafic, Rajesh Theravalappil and Selvin P. Thomas
ChemEngineering 2024, 8(3), 57; https://doi.org/10.3390/chemengineering8030057 - 5 Jun 2024
Viewed by 1666
Abstract
In this study, natural rubber (NR)/polybutadiene rubber (PB) blend-based composites were prepared using graphene as a partial replacement for carbon black (CB) in different parts per hundred rubber (phr) percentages. In a previous study, the vulcanization characteristics, viscoelastic behavior, and static mechanical properties [...] Read more.
In this study, natural rubber (NR)/polybutadiene rubber (PB) blend-based composites were prepared using graphene as a partial replacement for carbon black (CB) in different parts per hundred rubber (phr) percentages. In a previous study, the vulcanization characteristics, viscoelastic behavior, and static mechanical properties were reported, and the compound labeled as compound 2 (with 2.5 phr of graphene and 52.5 phr of carbon black) showed optimum properties. Herein, we report the dynamic mechanical properties and the transport properties of the formulations to establish further characterization of the compounds. Three different organic solvents comprising benzene, toluene, and xylene were employed to analyze the sorption characteristics. The obtained data were also modeled with different theoretical predictions. The dynamic mechanical properties showed that certain compounds can be considered to be green tire formulations, as there were appreciable changes in the tanδ values at different temperatures (−25 °C to 60 °C). The thermogravimetric analysis showed that compound 2, with 2.5 phr of graphene, has a higher t50 value among the studied formulations, which indicates higher thermal stability than the base compound. The partial replacement of 2.5 phr of graphene in place of carbon black (total 55 phr) led to appreciable improvements in terms of thermal stability, transport properties, and dynamic mechanical properties. Full article
(This article belongs to the Special Issue Engineering of Carbon-Based Nano/Micromaterials)
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