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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