Thermochemistry of Organic Nitro Compounds and Strength of Bonds in Nitro Alkanes | Chapter 10 | Theory and Applications of Chemistry Vol. 1

The linear equation ∆cH° = i± f (N -g), in which i and f are the factors of correlation, describing interdependence between then heat of combustion organic compounds and their number (N) valence electrons except for a number of lone electron pairs (g) heteroatoms in them, it has been applied besides to the most thermochemical parameter for mono-, di-and trinitroalkanes, arenes and alkylated nitramines. It has appeared, that the given equation also is good applicable to calculation of the heats of formation, vaporization and atomization of nitro compounds in condensed and gas phases. Twenty six similar equations for calculation of thermochemical characteristics of substances with NO₂ groups have been deducedon the basis of the analysis known in literary thermochemical parameters for 53 organic nitro compounds. The estimation of value coefficients f in these equations for calculation of the heats of combustion, formation in condensed and gaseous phases, vaporization, sublimation and atomization mononitro alkanes, various nitramines, dinitro alkanes and arenes, trinitro alkanes and arenes is made. The magnitudes of the strength for C-H, C-C, C-N, N-O bonds were calculated for gaseous nitro alkanes with the use of computer program Microsoft-Excel-function «Search of the decision by a method of the interfaced gradients» in a first time.

Author(s) Details

Vitaly Vitalevich Ovchinnikov

Tupolev Kazan National Researching Technical University, St-K.Marks 10, 420111 Kazan, Tatarstan, Russia.

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Enhanced Adsorption of Methylene Blue Using Distilled Water Neutralized Red Mud | Chapter 09 | Theory and Applications of Chemistry Vol. 1

This work is aimed at improving the ability of red mud to remove methylene blue from aqueous solution. The efficiency of methylene blue (MB) removal by untreated red mud was compared to that of red mud neutralized with distilled water. The pH, surface charge, particle size distribution, chemical composition, infrared spectrometry and morphology analyses were used to characterize the adsorbents. Batch experiments without agitation and filtration were conducted to determine the influence of contact time, solution pH, temperature, initial dye concentration, adsorbent dose and presence of Clˉ, SO₄²ˉ, HPO₄²ˉ and HCO₃ˉ on dye removal. Distilled water treated red mud (RMD) had improved adsorbent properties than raw red mud (RM). For all the parameters tested, RMD showed higher removals of MB compared to RM. The fitting order for tested isotherm models was: Langmuir >Dubinin–Radushkevich > Freundlich for RMD and Freundlich > Dubinin–Radushkevich > Langmuir for RM. Monolayer adsorption capacities of RMD and RM were found to be 17.123 and 4.221 mg/L respectively. Pseudo-second-order kinetic model suited well than other tested kinetic models. Equilibrium was attained in 24 hours, and the order of shifting of equilibrium to the right as well as the rate of uptake is: MB on RMD > MB on RM. MB removal was found to be more endothermic, more spontaneous and more favourable on RMD than on RM. Desorption experiments using acetone gave good results up to four cycles. MB can easily be removed from waste water using distilled water neutralized red.Water modified red mud is relatively efficient as other used materials for MB removal (Table 5), so it was concluded that red mud modified with distilled water can be used for industrial applications in removing methylene blue from various real effluents released from various types of industries such as chrome plating, textile dyeing, leather tanning and photolithographic industries. Furthermore, red mud is very cheap as compared to other adsorbents so easily available. Also modification of red mud with water is a cheaper process with no risk of introducing other chemicals on to it as opposed to other neutralization methods that use mineral acid, heat and other chemicals. Distilled water neutralized red mud is more efficient in removing methylene blue from waste water than untreated red mud.

Author(s) Details

Cornelius Tsamo

Department of Chemistry, Higher Teachers’ Training College Maroua, P.O.Box 55 Maroua, Cameroon and Laboratoire des Matériaux et Chimie Inorganique Industrielle, University of Ngaoundere, Cameroon.

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Concentration Levels of Iron (Fe), Copper (Cu), Lead (Pb), Cadmium (Cd), Chromium (Cr) and Selected Nutrients in Water of Motoine River Channel, Kibera, Kenya | Chapter 08 | Theory and Applications of Chemistry Vol. 1

The need for clean and safe consumable water is of paramount importance to any society since water is a crucial substance for the sustenance of life. Kibera slum is one of the leading slums in the world with a high population, leading to poor levels of sanitation and inadequate clean water supply. Consequently, the residents have to seek for alternative water supply. Motoine River flows through the slum, and thus acts as an alternative source of water. This study determined the concentration levels of heavy metals (Pb, Fe, Cu, Cr and Cd) and nutrients (nitrates, nitrites and phosphates) in Motoine River, Kibera in September 2014 and compared the variations downstream. The metals were determined using Atomic Absorption Spectroscopy (AAS) while the nutrients were determined using UV/Visible spectroscopy. Concentration levels of Cu, Cd and Cr were found to be lower than the Environmental Protection Agency (EPA) values for maximum contaminant level (MCL) while those of Fe, Pb and the nutrients were higher than EPA’s MCL values. Cd had the lowest concentration and was below the detection limit of the instrument used. Nitrates were found to be of the highest concentration at 16.4959 ± 2.4432 parts per million (ppm). Thehigh concentration of nutrients in the water could be due to domestic waste and effluent disposal into the river and agricultural runoffs while that of metal ions could be due to waste from informal industries and erosion of natural deposits. The efforts by the government to rehabilitate and clean rivers within Nairobi should be extended to include Motoine River.

Author(s) Details

S. M. Muthee

Department of Chemistry, Jomo Kenyatta University of Agriculture and Technology, P.O.Box 62000 – 00200, Nairobi Kenya

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Role of Atomic-Molecular Formations in Chemistry | Chapter 07 | Theory and Applications of Chemistry Vol. 1

An important task of chemistry is to establish patterns of dependence on the property of substances on its composition and structure. That is, any link of atomic and molecular formations exhibit physicochemical properties depending on the given conditions,expressing structural and energetic correspondence as part of a material object. Consequently, the task set requires an in-depth study of the dependence on the micro-macroscopic properties of substances on the nature of its constituent elements with its specific characteristics as a whole. Separate consideration of the structural elements of the micro-macroscopic formation of this system without regard to their interaction, in many cases leads to a distortion of reality. At the same time, substances, according to the statements of M. Faraday, continuously make energy exchange with the environment. The analysis of phase equilibrium carried out by G. Gibbs shows that the state of the system is described by thermodynamic parameters (temperature, pressure, volume, chemical potential, etc.), changes in which determine the conditions of the process. The process is characterized by transfer of energy between material objects to create work (chemical, mechanical, electrical, etc.) and physico-chemical manifestationsin the form of heat, light, etc. Identifying the mechanism of energy transfer, the nature of energy storage in material substances is not well understood. For the rational use of different types of energy, fundamental research should be carried out, whichrequires specific scientific concepts and definitions in the field of atomic-molecular formations. In this question, there remains an inconsistency between individual natural sciences, as well as within the same industry in the interpretation of certain conceptual and terminological definitions of matters. “Chemical individual”represents the elementary lattice of a condensed substance or the minimum group of”chemical elements”connected in the form of chemical, metallic, coordination and intermolecular bonds, which determine the structure, composition and properties of this system.The “chemical individual”defines the mechanism of macrostructure formation,i.e. is the source ofcertain chemical information that affects the structure of the final reaction products. The amount of a substance will allow one to study reactions using the chemical formulas of the reacting substances, to compile stoichiometric and kinetic equations in accordance with their “chemical equivalents”. A chemical formula is a conditional notation depicting the elemental composition of a substance with the help of symbols of chemical elements. Because of the identity of the elemental composition of the “elementary chemical compound” and “substance” usually the latter is called a chemical compound, not turning to the micro-macro levels of material formations.

Author(s) Details

Dr. Bolysbek Utelbayev

Kazakh-British Technical University, Almaty, Kazakhstan.

E. N. Suleimenov

Kazakh-British Technical University, Almaty, Kazakhstan.

Utelbayeva Akmaral Bolysbekovna

State University named by M. Auezov, Kazakhstan.

Zhangabay Nurlan

State University named by M. Auezov, Kazakhstan.

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Computational Analysis of a Colored Maillard Reaction Product from the Conceptual Density Functional Theory Viewpoint | Chapter 06 | Theory and Applications of Chemistry Vol. 1

This computational study assessed ten density functionals that include CAM-B3LYP, LC-ωPBE, M11,M11L, MN12L, MN12SX, N12, N12SX,ωB97X, andωB97XD related to the Def2TZVP basis set together with the SMD solvation model. These are assessed in calculating the molecular properties and structure of the pyrrolopyrrole-2-carbaldehyde molecule (PPA) in water. The calculated HOMO and LUMO of PPA are presented through graphical sketches overlapped to its chemical structure. The chemical reactivity descriptors for the systems are calculated via the Conceptual Density Functional Theory. The choice of active sites applicable to nucleophilic, electrophilic as well as radical attacks is made by linking them with Fukui functions indices, electrophilic and nucleophilic Parr functions, and the condensed dual descriptor ∆f(r).

Author(s) Details

Dr. Juan Frau

Departament de Qumica, Universitat de les Illes Balears, Palma de Mallorca, 07122, Spain.

Dr. Daniel Glossman-Mitnik

Laboratorio Virtual NANOCOSMOS, Departamento de Medio Ambiente y Energa, Centro de Investig-aci on en Materiales Avanzados, Chihuahua, Chih 31136, Mexico.

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Liquid-Liquid Extraction of Mo (VI) and the Effect of Anions, Complexing and Salting – Out Agents Using 4-Adipoyl and 4-Sebacoyl Derivatives of Bis (1-Phenyl-3-methylpyrazolone-5) | Chapter 05 | Theory and Applications of Chemistry Vol. 1

Author(s) Details

Dr. Ihesinachi Kalagbor

Department of Science Laboratory Technology Rivers State Polytechnic, Bori P.M.B 20, Nigeria

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The Calculation of H-X Strength of Bonds in Some Hydrides of Certain Atoms of Mendeleev’s Periodic Table, Hydrocarbons and Different Carbohydrates | Chapter 04 | Theory and Applications of Chemistry Vol. 1

Author(s) Details

Vitaly Vitalevich Ovchinnikov

Tupolev Kazan National Researching Technical University, St-K.Marks 10, 420111 Kazan, Tatarstan, Russia.

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Review on Chemical Bath Deposited Nanostructured Thin Films in the Presence of Complexing Agent | Chapter 03 | Theory and Applications of Chemistry Vol. 1

There are many nanostructured thin films (such as binary and ternary compounds) have been prepared using simple chemical bath deposition technique. These films were deposited onto various substrates under different experimental conditions. During the deposition process, complexing agent will be added to improve quality of films. In this work, an analysis was carried out to investigate the growth of films in the presence of complexing agent. Researchers conclude that complexing agent controls cation ions during the deposition process. Aa a result, can produce uniform surface and control deposition rate as well.

Author(s) Details

Prof Dr. Ho Soon Min

Centre for Green Chemistry and Applied Chemistry, INTI International University, Putra Nilai, 71800, Negeri Sembilan, Malaysia.

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Removal of Toxic 2, 4-Dinitrophenol (2, 4-DNP) and 2, 4, 6-Trinitrophenol (2, 4, 6-TNP) through Adsorptive Interaction with Metal Ferrocyanides | Chapter 02 | Theory and Applications of Chemistry Vol. 1

Antimony, cadmium and zirconium hexacyanoferrates (II) were synthesized and characterized by elemental and spectral studies. Interaction of 2, 4-dinitrophenol (2, 4-DNP) and 2, 4, 6-trinitrophenol (2, 4, 6-TNP) with antimony, cadmium and zirconium hexacyanoferrates (II) have been studied at neutral pH (7.00 ± 0.01) and a temperature of 30 ± 1°C. The progress of adsorption was followed spectrophotometrically by measuring the absorbance of substituted phenols at their corresponding λmax. The nature of adsorption has been interpreted from the shape of adsorption isotherms. The Langmuir type of adsorption is followed in the concentration range of 10ˉ³ –10ˉ⁴ M of 2, 4-DNP and 2, 4, 6-TNP solutions. The 2, 4, 6 -TNP was found to have greater affinity for the antimony, cadmium and zirconium hexacyanoferrates (II) than 2, 4 –DNP. High adsorption capacity has been observed for cadmium hexacyanoferrate (II) while it is minimum with zirconium hexacyanoferrate (II), which indicate highly porous characteristics of cadmium hexacyanoferrate (II) in comparison to other metal hexacyanoferrates (II) studied. Removal of toxic phenol is necessary for the protection of our environment. Phenols react with soil to reduce their fertility therefore its removal from soil is also important for our food security. The p-nitrophenol was found to have greater affinity for the antimony, cadmium and zirconium ferrocyanides than the p-aminophenol. The adsorption of 2, 4-DNP and 2, 4,6-TNP on copper, zinc, molybdenum and chromium ferrocyanides was studied at different pH and temperature. The thermodynamic parameters for adsorption od 2, 4-DNP and 2, 4, 6-TNP on metal ferrocyanides is reported.

Author(s) Details

Professor Brij Bhushan Tewari, B.Sc., M.SC., D.Phil., FRCS

Department of Chemistry, Faculty of Natural Sciences, University of Guyana, P. O. Box: 101110, Georgetown, Guyana.

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Study on Activated Carbon Prepared from Various Fruit Peels | Chapter 01 | Theory and Applications of Chemistry Vol. 1

The presence of dyes and heavy metals in water is undesirable and may be toxic to the aquatic environment. Therefore, removal of these contaminants is an important aspect of waste water treatment. Fruit peel was produced by restaurants, fruit juice producers, fruit seller, consumer and food industries in the world. Because of for most fruits, only the fleshy pulps are consumed leaving and the peels were discarded. As a result, these peels causing pollution and serious environmental impact. Therefore, there is the need for an intensified research in the development of the activated carbon. Fruit peels were used as precursor to synthesis activated carbon in water treatment. The obtained activated carbon has higher surface area and pore volume. Equilibrium data will be investigated using Langmuir and Freundlich.

Author(s) Details

Associate Professor Dr. Ho Soon Min

Centre for Green Chemistry and Applied Chemistry, INTI International University, Putra Nilai, 71800, Negeri Sembilan, Malaysia.

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