Analytical Chemistry from Laboratory to Process Line

Gennady E. Zaikov, A. K. Haghi, Gennady E. Zaikov, A. K. Haghi

• Publisher: Apple Academic Press
• Year: 2018
• ISBN:
  9780429845451
• Edition: 1
• Topic: Biological Sciences
• Subtopic: Science General
• Index: Biological Sciences

This bookhighlights many of the latest developments and trends in engineering chemistry research and describes the respective tools to characterize and predict properties and behavior of materials. The book provides original, theoretical, and important experimental results which use non-routine methodologies and presents chapters on novel applications of more familiar experimental techniques and analyses of composite problems which indicate the need for new experimental approaches presented.

Technical and technological development demands the creation of new materials thatare stronger, more reliable and more durable, i.e. materials with new properties. This volume presents new research that will help lead to new and better materials. Each chapter describes the principle of the respective method as well as the detailed procedures of experiments with examples of actual applications presented. Thus, readers will be able to apply the concepts as described in the book to their own experiments.

Experts in each of the areas covered have reviewed the state of the art, thus creating a book that will be useful to readers at all levels in academic, industry, and research institutions. Engineers, polymer scientists, and technicians will find this volume useful in selecting approaches and techniques applicable to characterizing molecular, compositional, rheological, and thermodynamic properties of elastomers and plastics.

PART 1

APPLIED CHEMISTRY RESEARCH NOTES

CHAPTER 1

A NOTE ON VAN DER WAALS RADII AND ATOMIC DIMENSIONAL CHARACTERISTICS

G. A. KORABLEV,¹ G. S. VALIULLINA,¹ and G. E. ZAIKOV²

¹Izhevsk State Agricultural Academy, Studencheskaya St., 11, Izhevsk, 426000, Russia, E-mail: [email protected]

²Institute of Biochemical Physics N.M. Emanuel, 4, Kosygin St., Moscow, 119991, Russia, E-mail: [email protected]

CONTENTS

Abstract

>1.1 Introduction

>1.2 Research Methods

>1.3 Calculations and Comparisons

Keywords

References

ABSTRACT

The registration of P-parameter properties allows explaining the direct dependence between covalence and Van der Waals radii.

1.1 INTRODUCTION

Covalence and Van der Waals radii are widely used in physical-chemical research.

The covalence bond is the bond formed by a pair of electrons. At the same time, each atom included into the bond sends one electron to the pair, which belongs to both atoms.

Van der Waals interactions are intermolecular interactions between electrically neutral particles. These are weak interactions but they are very important in structural conformation processes, especially for biosystems.

However, there is still no mathematical bond between the radii of these significant interactions. The concept of spatial-energy parameter (P-parameter) is applied for this purpose in this research [1].

1.2 RESEARCH METHODS

It was found that P-parameter possesses wave properties [1].

The interference maximum, amplification of oscillations (in the phase) occur if the wave path difference equals the even number of half-waves: $\text{Δ}=2n\frac{\text{λ}}{2}=\lambda n$ or Δ = λ(n + 1), where λ – wavelength, n = 0, 1, 2, 3… (even number).

As applicable to P-parameter, the maximum amplification of interactions in the phase corresponds to the interactions of like-charged systems or systems homogeneous by their properties and functions (e.g., between the fragments or blocks of complex organic structures). Then, the relative value of P-parameters of these systems is as follows:

$\gamma =\frac{P}{P_i}=\left(n+1\right)$

(1)

Similarly, for “degenerated” systems (with similar function values) of 2D harmonic oscillator, the energy of stationary states is as follows:

$\epsilon =h\nu \left(n+1\right),$

where h – Plank’s constant, v – frequency.

From the Eq. (1) we have: $P_i=\frac{P}{n+1}$ or $P_i=\frac{P}{n}$.

This means that apart from the initial (main) atom state with P-parameter, each atom can have structural-active valence orbitals with another value of P_i-parameters, moreover, the nearest most active valence states differ in two times by the values of P-parameters. Formally, this corresponds to the increase in the distance of interatom (intermolecular) interaction in 2 times, that is, we observe the transition from the interaction radius to the diameter.

Therefore, for P_e-parameter we have:

${P^{\prime }}_e=\frac{P_0}{R_1\left(n+1\right)}$

(2)

or

${P^{″}}_e=\frac{P_0}{R_{2}n}$

(3)

Apparently, the periodicity of element system also corresponds to the Eqs. (2) and (3), in which, taking into account the screening effects, it is better to use the effective main quantum number – n^* instead of n, the bond between which by Slatter [2] is as follows:

$\text{n 1 2 3 4 5 6}$

$n^{*}\text{1 2 3 3, 7 4 4, 2}$

Then: ${P^{\prime }}_e=\frac{P_i}{R_1\left(n^{*}+1\right)}$ and ${P^{″}}_e=\frac{P_i}{R_2{n}^{*}}$

where P_i – P₀-parameters of each element in the given period of the System.

1.3 CALCULATIONS AND COMPARISONS

It is known that an electron energy, if there are no other electrons on the orbital, depends only on ${\left(\raisebox{1ex}{$Z^{*}$}\!\left/ \!\raisebox{-1ex}{$n^{*}$}\right.\right)}^2$ where Z^* – nucleus effective charge.

In accordance with the equality principle of P-parameters of interacting systems and as applicable to the given atom at its different radii of intermolecular interaction, we make the Eqs. (2) and (3) equal, and, raising n* and (n* + 1) to the second power, we have:

$r_k{(n^{*}+1)}^2=R_v{n}^{*2}\to R_v={(\frac{n^{*}+1}{n^{*}})}^2{r}_k,$

(4)

where r_k – covalence radii, R_v – Van der Waals radii.

The correctness of the Eq. (4) is proved by the calculations given in Table 1.1. By physical sense, this equation is determined by quantum changes in the radius of intermolecular interaction of elements of different periods of the System.

TABLE 1.1 Dependence Between Covalence and Van der Waals Radii

Thus, covalence and Van der Waals radii are linked by a simple dependence via the coefficient ${\left(\frac{n^{*}+1}{n^{*}}\right)}^2$.

KEYWORDS

• covalence

• P-parameter properties

• spatial-energy parameter

• Van der Waals radii

REFERENCES

1. Korablev, G. A. Spatial-Energy Principles of Complex Structures Formation, Amsterdam, The Netherlands, Brill Academic Publishers and VSP, 2005, 426p.

2. Batsanov, S. S., Zvyagina, R. A. Overlap integrals and problem of effective charges (in Rus.), Science (Nauka) Publishing House, Novosibirsk City, 1966, 386p.

CHAPTER 2

A NOTE ON INORGANIC POLYMERS SEMICONDUCTOR MATERIALS

B. S. ALIKHADZHIEVA and Z. S. KHASBULATOVA

Chechen State Pedagogical Institute, 33, Kievskaj Str., 364037, Grozny, Russia; E-mail: [email protected]

CONTENTS

Abstract

>2.1 Introduction

>2.2 Identification of Phases Was Carried Out by the X-Ray Phase Analysis

Keywords

References

ABSTRACT

Metaphosphates alkali metals of inorganic polymers, which in the molten state retain poly...

Table of contents

• Cover
• Half Title
• Title Page
• Copyright Page
• Table of Contents
• List of Contributors
• List of Abbreviations
• List of Symbols
• Preface
• About the Editors
• Part I: Applied Chemistry Research Notes
• Part II: Composites Technology
• Part III: Polymer Chemistry
• Part IV: Special Topics
• Index