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Molecules
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Synthesis and Applications of Materials in Green Chemistry
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Synthesis and Applications of Materials in Green Chemistry

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Green Chemistry".

Deadline for manuscript submissions: closed (31 January 2024) | Viewed by 4049

Special Issue Editors

Dr. Somayeh Taghavi

E-Mail Website
Guest Editor
1. Applied Chemistry, Faculty of Chemistry, University of Mazandaran, 47416-95447 Babolsar, Iran
2. Department of Molecular Sciences and Nano Systems, Ca' Foscari University of Venice, Via Torino 155, 30172 Mestre Venezia, Italy
Interests: heterogeneous catalysis; biomass valorization; waste management; Fischer-Tropsch synthesis; fuels and biofuels; bioenergy
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Mojgan Zendehdel

E-Mail Website
Guest Editor
Department of Chemistry, Faculty of Science, Arak University, Arak 38156-8-8349, Iran
Interests: zeolite; mesoporous materials; catalyst; environment
Dr. Mahdia Hamidinasab

E-Mail Website
Guest Editor
Institute of Nanosciences and Nanotechnology, Arak University, Arak 38156-88138, Iran
Interests: organic synthesis; heterogeneous catalysis; nanochemistry; environmental chemistry
Dr. Sajedeh Jafarian

E-Mail Website
Guest Editor
Department of Applied Chemistry, University of Mazandaran, Babolsar 47416, Iran
Interests: biofuel; biodiesel; hydrothermal liquefaction of biomass; pyrolysis; catalyst; adsorption process

Special Issue Information

Dear Colleagues,

The scope of “Green Chemistry” focuses on a set of principles that minimize or eliminate the use or generation of hazardous substances in the design of processes, manufacturing techniques, and applications of chemical products aiming to respect the environment. One of most important principles is “prevention”, related to the reduction of coproduced wastes with respect to the desired product. Atom economy, saving energy, using renewable raw feedstocks and smart catalysts are other key principles of the processes in Green Chemistry. Moreover, the synthetic methods, chemicals and solvents in a process should preserve the efficacy of function while possessing minimum toxicity to human health and the environment. Considering the significant role of hazardous materials characterization in human health, further development of analytical methodologies to allow real-time, in-process monitoring and control before the formation of hazardous substances can improve Green Chemistry. Therefore, this Special Issue plans to give an overview and provide selected contributions on advances in the synthesis, characterization, and applications of materials in Green Chemistry. Coverage includes, but is not limited to, the following topics based on Green Chemistry:

synthesis of catalysts; catalytic reactions; conversion of renewable feedstocks to valuable chemicals; synthesis of adsorbents; removal of pollutants; and materials and methods for the characterization of hazardous substances.

Dr. Somayeh Taghavi
Prof. Dr. Mojgan Zendehdel
Dr. Mahdia Hamidinasab
Dr. Sajedeh Jafarian
Guest Editors

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. Molecules 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 2700 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

  • green chemistry
  • synthesis
  • characterization
  • catalysts
  • absorbents
  • hazardous material

Published Papers (2 papers)

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Research

16 pages, 2810 KiB  
Article
Supervised Machine Learning-Based Prediction of Hydrogen Storage Classes Utilizing Dibenzyltoluene as an Organic Carrier
by Ahsan Ali, Muhammad Adnan Khan and Hoimyung Choi
Molecules 2024, 29(6), 1280; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules29061280 - 13 Mar 2024
Viewed by 578
Abstract
Dibenzyltoluene (H0-DBT), a Liquid Organic Hydrogen Carrier (LOHC), presents an attractive solution for hydrogen storage due to its enhanced safety and ability to store hydrogen in a concentrated liquid form. The utilization of machine learning proves essential for accurately predicting hydrogen storage classes [...] Read more.
Dibenzyltoluene (H0-DBT), a Liquid Organic Hydrogen Carrier (LOHC), presents an attractive solution for hydrogen storage due to its enhanced safety and ability to store hydrogen in a concentrated liquid form. The utilization of machine learning proves essential for accurately predicting hydrogen storage classes in H0-DBT across diverse experimental conditions. This study focuses on the classification of hydrogen storage data into three classes, low-class, medium-class and high-class, based on the hydrogen storage capacity values. We introduce Hydrogen Storage Prediction with the Support Vector Machine (HSP-SVM) model to predict the hydrogen storage classes accurately. The performance of the proposed HSP-SVM model was investigated using various techniques, which included 5-Fold Cross Validation (5-FCV), Resubstitution Validation (RV), and Holdout Validation (HV). The accuracy of the HV approach for the low, medium, and high class was 98.5%, 97%, and 98.5%, respectively. The overall accuracy of HV approach reached 97% with a miss clarification rate of 3%, whereas 5-FCV and RV possessed an overall accuracy of 93.9% with a miss clarification rate of 6.1%. The results reveal that the HV approach is optimal for predicting the hydrogen storage classes accurately. Full article
(This article belongs to the Special Issue Synthesis and Applications of Materials in Green Chemistry)
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14 pages, 3543 KiB  
Article
Synthesis of Graphene Oxide from Sugarcane Dry Leaves by Two-Stage Pyrolysis
by Baskar Thangaraj, Fatima Mumtaz, Yawar Abbas, Dalaver H. Anjum, Pravin Raj Solomon and Jamal Hassan
Molecules 2023, 28(8), 3329; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules28083329 - 10 Apr 2023
Cited by 6 | Viewed by 2847
Abstract
Natural or synthetic graphite as precursors for the preparation of graphene oxide (GO) have constraints due to their limited availability, high reaction temperature for processing of synthetic graphite and higher generation cost. The use of oxidants, long reaction duration, the generation of toxic [...] Read more.
Natural or synthetic graphite as precursors for the preparation of graphene oxide (GO) have constraints due to their limited availability, high reaction temperature for processing of synthetic graphite and higher generation cost. The use of oxidants, long reaction duration, the generation of toxic gases and residues of inorganic salts, the degree of hazard and low yield are some of the disadvantages of the oxidative-exfoliation methods. Under these circumstances, biomass waste usage as a precursor is a viable alternative. The conversion of biomass into GO by the pyrolysis method is ecofriendly with diverse applications, which partially overcomes the waste disposal problem encountered by the existing methods. In this study, graphene oxide (GO) is prepared from dry leaves of sugarcane plant through a two-step pyrolysis method using ferric (III) citrate as a catalyst, followed by treatment with conc. H2SO4. The synthesized GO is analyzed by UV-Vis., FTIR, XRD, SEM, TEM, EDS and Raman spectroscopy. The synthesized GO has many oxygen-containing functional groups (–OH, C–OH, COOH, C–O). It shows a sheet-like structure with a crystalline size of 10.08 nm. The GO has a graphitic structure due to the Raman shift of G (1339 cm−1) and D (1591 cm−1) bands. The prepared GO has multilayers due to the ratio of 0.92 between ID and IG. The weight ratios between carbon and oxygen are examined by SEM-EDS and TEM-EDS and found to be 3.35 and 38.11. This study reveals that the conversion of sugarcane dry leaves into the high-value-added material GO becomes realistic and feasible and thus reduces the production cost of GO. Full article
(This article belongs to the Special Issue Synthesis and Applications of Materials in Green Chemistry)
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