Sustainable Chemistry Research

Computational and Industrial Aspects

Ponnadurai Ramasami

• Publisher: De Gruyter
• Year: 2023
• Print ISBN: 9783111070919
• eBook ISBN: 9783111071633
• Edition: 1
• Topic: Physical Sciences
• Subtopic: Environmental Science

This edited book of proceedings is a collection of seventeen selected and peer-reviewed contributions from the Virtual Conference on Chemistry and its Applications (VCCA-2022). VCCA-2022 was held online from 8 th to 12 th August 2022. The theme of the conference was "Resilience and Sustainable Research through Basic Sciences". 500 participants from 55 countries participated in VCCA-2022. This volume 2 reflects the chapters covering computational and industrial aspects.

Table of contents

• Title Page
• Copyright
• Contents
• 1 Computational study of propene selectivity and yield in the dehydrogenation of propane via process simulation approach
• 2 Computational chemistry in the undergraduate inorganic curriculum
• 3 Computational design of the novel building blocks for the metal-organic frameworks based on the organic ligand protected Cu4 cluster
• 4 Computational investigation of Arbutus serratifolia Salisb molecules as new potential SARS-CoV-2 inhibitors
• 5 Formulation of a herbal topical cream against Tinea capitis using flavonoids glycosides from Dicerocaryum senecioides and Diospyros mespiliformis
• 6 Immediate effects of atrazine application on soil organic carbon and selected macronutrients and amelioration by sawdust biochar pretreatment
• 7 Process configuration of combined ozonolysis and anaerobic digestion for wastewater treatment
• 8 Concentration levels and risk assessment of organochlorine and organophosphate pesticide residue in selected cereals and legumes sold in Anambra State, south-eastern Nigeria
• 9 Adsorption of trichloroacetic acid from drinking water using polyethylene terephthalate waste carbon and periwinkle shells–based chitosan
• 10 Comparative study of the photocatalytic degradation of tetracycline under visible light irradiation using Bi24O31Br11-anchored carbonaceous and silicates catalyst support
• 11 Synergistic effect in bimetallic gold catalysts: recent trends and prospects
• 12 Simultaneous removal of methylene blue, copper Cu(II), and cadmium Cd(II) from synthetic wastewater using fennel-based adsorbents
• 13 The investigation of the physical properties of an electrical porcelain insulator manufactured from locally sourced materials
• 14 A new sphingoid derivative from Acacia hockii De Wild (Fabaceae) with antimicrobial and insecticidal properties
• 15 Protection of wood against bio-attack and research of new effective and environmental friendly fungicides
• 16 Exploring the solvation of water molecules around radioactive elements in nuclear waste water treatment
• 17 Changing our outlook towards vulnerable women for societal resilience
• Index