Relationship Between Radiation Stability and Molecular Structure of Nitramine Explosives

1992 ◽  
Vol 296 ◽  
Author(s):  
James J. Pinto
Keyword(s):  
Molecular Structure ◽  
Binding Energy ◽  
Mass Spectra ◽  
Bond Distance ◽  
Radiation Stability ◽  
Photoelectron Spectra ◽  
X Rays ◽  
First Order ◽  
First Order Kinetics ◽  
Cyclotrimethylene Trinitramine

AbstractThe radiation stabilities of the nitramine explosives 1,4-dinitroglycolurile (DINGU), 1,4-dimethyl-2,5-dinitroglycolurile (DMD) and hexanitrohexaazaisowurtzitane (HNIW) have been determined using XPS. Samples were exposed to x-rays for times up to eight hours while photoelectron spectra were recorded in the carbon, oxygen, and nitrogen Is energy regions and mass spectra were recorded of gases evolved during the decomposition process. These data are compared to the previously determined stabilities for cyclotrimethylene trinitramine (RDX) and cyclotetramethylene tetranitramine (HlMX). The N1s spectra of the irradiated materials show the NO2 peak decreases relative to the total nitrogen signal while low binding energy peaks grow. The rate of loss of the NO2 peak was fit to first order kinetics and the rate constants obtained show some correlation with the N-N bond strength as measured by the average N-N bond distance and the average NO2 asymetric stretch frequency. Despite the differences in structure of these molecules (DINGU and DMD are bicyclic rings, RDX and HMX are rings and HNIW is a cage) the radiation stability appears to be controlled by the strength of the N-N bond.

scholarly journals A side-by-side comparison of the solidification dynamics of quasicrystalline and approximant phases in the Al–Co–Ni system

2019 ◽  
Vol 75 (2) ◽  
pp. 281-296 ◽  
Author(s):  
Insung Han ◽  
Xianghui Xiao ◽  
Haiping Sun ◽  
Ashwin J. Shahani
Keyword(s):  
Driving Forces ◽  
Nucleation And Growth ◽  
Experimental Investigations ◽  
X Rays ◽  
Decagonal Quasicrystal ◽  
First Order ◽  
First Order Kinetics ◽  
Complex Crystal ◽  
Widespread Interest

Quasicrystals and their approximants have triggered widespread interest due to the challenge of solving their complex crystal structures as well as their possibly exceptional properties. The structural motifs of approximants are similar to those of the corresponding quasicrystals, but to what extent are their crystallization pathways the same? Unfortunately, there have been very few in situ experimental investigations to answer this question. Here, by leveraging the high penetrating power of hard X-rays, synchrotron-based X-ray tomography was conducted in order to capture the nucleation and growth of a decagonal quasicrystal and its related approximant. The combination of data-driven computational analysis with new thermodynamic databases allowed the characterization, with high precision, of the constitutional and kinetic driving forces for crystallization. The experimental results prove that the growth of both crystals from a liquid is dominated by first-order kinetics. Nevertheless, and somewhat surprisingly, significant differences were observed in their rates of nucleation and growth. The reasons for such divergent behaviours are discussed in light of contemporary theories of intermetallic crystallization.

Ag7 AND Ag8 QUANTUM CLUSTERS SUPPORTED ON ALUMINA: NEW CATALYSTS FOR ORGANIC REACTIONS

2011 ◽  
Vol 10 (04n05) ◽  
pp. 839-843 ◽  
Author(s):  
ANNAMALAI LEELAVATHI ◽  
THUMU UDAYA BHASKARA RAO ◽  
THALAPPIL PRADEEP
Keyword(s):  
Electron Microscopy ◽  
Photoelectron Spectroscopy ◽  
Solid Phase ◽  
Kinetic Studies ◽  
X Rays ◽  
First Order ◽  
First Order Kinetics ◽  
Mercaptosuccinic Acid ◽  
Transmission Electron ◽  
Quantum Clusters

Silver quantum clusters (QCs) stabilized by mercaptosuccinic acid (MSA) have been synthesized at room temperature from Ag nanoparticles through an interfacial etching process. The as-synthesized red emitting QCs were coated on alumina and the supported clusters have been characterized by transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy dispersive analysis of X-rays (EDAX) and fluorescence spectroscopy. Catalytic activity of Ag QCs supported on alumina have been exploited for the reduction of 4-nitrophenol in presence of sodium borohydride. The reaction followed pseudo-first order kinetics. The catalyst separated from the product remains active and can be recycled several times. Other nitroaromatic compounds have also been tested. Synthesis of the solid phase catalyst, applications and detailed kinetic studies of the reduction of 4-nitrophenol are reported.

Photo-catalytic degradation of gaseous pollutants in paper mills of southern China

TAPPI Journal ◽  
2018 ◽  
Vol 17 (03) ◽  
pp. 167-178 ◽  
Author(s):  
Xin Tong ◽  
Jiao Li ◽  
Jun Ma ◽  
Xiaoquan Chen ◽  
Wenhao Shen
Keyword(s):  
Degradation Rate ◽  
Southern China ◽  
Catalytic Degradation ◽  
Pulp And Paper ◽  
Gaseous Pollutants ◽  
Pulp And Paper Mills ◽  
Paper Mills ◽  
Initial Concentration ◽  
First Order ◽  
First Order Kinetics

Studies were undertaken to evaluate gaseous pollutants in workplace air within pulp and paper mills and to consider the effectiveness of photo-catalytic treatment of this air. Ambient air at 30 sampling sites in five pulp and paper mills of southern China were sampled and analyzed. The results revealed that formaldehyde and various benzene-based molecules were the main gaseous pollutants at these five mills. A photo-catalytic reactor system with titanium dioxide (TiO2) was developed and evaluated for degradation of formaldehyde, benzene and their mixtures. The experimental results demonstrated that both formaldehyde and benzene in their pure forms could be completely photo-catalytic degraded, though the degradation of benzene was much more difficult than that for formaldehyde. Study of the photo-catalytic degradation kinetics revealed that the degradation rate of formaldehyde increased with initial concentration fitting a first-order kinetics reaction. In contrast, the degradation rate of benzene had no relationship with initial concentration and degradation did not conform to first-order kinetics. The photo-catalytic degradation of formaldehyde-benzene mixtures indicated that formaldehyde behaved differently than when treated in its pure form. The degradation time was two times longer and the kinetics did not reflect a first-order reaction. The degradation of benzene was similar in both pure form and when mixed with formaldehyde.

Kinetic of oxidation of methyl orange by vanadium(V) under conditions VO2+ and decavanadates coexist: Catalysis by Triton X-100 micellar medium

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Methyl Orange ◽  
Solution Ph ◽  
Vanadium Concentration ◽  
Limiting Behavior ◽  
First Order ◽  
First Order Kinetics ◽  
Ph Range ◽  
Kinetic Pattern ◽  
Triton X ◽  
Kinetics Of

The kinetics of oxidation of methyl orange by vanadium(V) {V(V)} has been investigated in the pH range 2.3-3.79. In this pH range V(V) exists both in the form of decavanadates and VO2+. The kinetic results are distinctly different from the results obtained for the same reaction in highly acidic solution (pH < 1) where V(V) exists only in the form of VO2+. The reaction obeys first order kinetics with respect to methyl orange but the rate has very little dependence on total vanadium concentration. The reaction is accelerated by H+ ion but the dependence of rate on [H+] is less than that corresponding to first order dependence. The equilibrium between decavanadates and VO2+ explains the different kinetic pattern observed in this pH range. The reaction is markedly accelerated by Triton X-100 micelles. The rate-[surfactant] profile shows a limiting behavior indicative of a unimolecular pathway in the micellar pseudophase.

Biodegradation rates of aromatic contaminants in biofilm reactors

1995 ◽  
Vol 31 (1) ◽  
pp. 117-128 ◽  
Author(s):  
Jean-Pierre Arcangeli ◽  
Erik Arvin
Keyword(s):  
Aromatic Hydrocarbons ◽  
Competitive Inhibition ◽  
Removal Rate ◽  
First Order ◽  
Biofilm Reactors ◽  
First Order Kinetics ◽  
Reducing Conditions ◽  
Low Concentrations ◽  
Degradation Rates ◽  
Order Surface

This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols, chlorophenols, nitrophenol, chlorobenzenes and aromatic nitrogen-, sulphur- or oxygen-containing heterocyclic compounds (NSO-compounds). Furthermore, a comparison with degradation rates observed for easily degradable organics is also presented. At concentrations below 20-100 μg/l the degradation of the aromatic compounds was typically controlled by first order kinetics. The first-order surface removal rate constants were surprisingly similar, ranging from 2 to 4 m/d. It appears that NSO-compounds inhibit the degradation of aromatic hydrocarbons, even at very low concentrations of NSO-compounds. Under nitrate-reducing conditions, toluene was easily biodegraded. The xylenes and ethylbenzene were degraded cometabolically if toluene was used as a primary carbon source; their removal was influenced by competitive inhibition with toluene. These interaction phenomena are discussed in this paper and a kinetic model taking into account cometabolism and competitive inhibition is proposed.

In-vitro Kinetic Hydrolysis Study of Metronidazole Derivatives with Carvacrol and Eugenol Using Validated RP-HPLC Method

2020 ◽  
Vol 16 ◽  
Author(s):  
M. Alarjah
Keyword(s):  
Half Life ◽  
Hplc Method ◽  
Hydrolysis Rate ◽  
First Order ◽  
First Order Kinetics ◽  
Rp Hplc ◽  
Pharmacokinetic Properties ◽  
Pseudo First Order ◽  
Kinetic Hydrolysis

Background: Prodrugs principle is widely used to improve the pharmacological and pharmacokinetic properties of some active drugs. Much effort was made to develop metronidazole prodrugs to enhance antibacterial activity and or to improve pharmacokinetic properties of the molecule or to lower the adverse effects of metronidazole. Objective: In this work, the pharmacokinetic properties of some of monoterpenes and eugenol pro metronidazole molecules that were developed earlier were evaluated in-vitro. The kinetic hydrolysis rate constants and half-life time estimation of the new metronidazole derivatives were calculated using the validated RP-HPLC method. Method: Chromatographic analysis was done using Zorbbax Eclipse eXtra Dense Bonding (XDB)-C18 column of dimensions (250 mm, 4.6 mm, 5 μm), at ambient column temperature. The mobile phase was a mixture of sodium dihydrogen phosphate buffer of pH 4.5 and methanol in gradient elution, at 1ml/min flow rate. The method was fully validated according to the International Council for Harmonization (ICH) guidelines. The hydrolysis process carried out in an acidic buffer pH 1.2 and in an alkaline buffer pH 7.4 in a thermostatic bath at 37ºC. Results: The results followed pseudo-first-order kinetics. All metronidazole prodrugs were stable in the acidic pH, while they were hydrolysed in the alkaline buffer within a few hours (6-8 hr). The rate constant and half-life values were calculated, and their values were found to be 0.082- 0.117 hr-1 and 5.9- 8.5 hr., respectively. Conclusion: The developed method was accurate, sensitive, and selective for the prodrugs. For most of the prodrugs, the hydrolysis followed pseudo-first-order kinetics; the method might be utilised to conduct an in-vivo study for the metronidazole derivatives with monoterpenes and eugenol.

The Structure and Photochromism of 2,4,4,6-Tetraphenyl-4H-thiopyran

1992 ◽  
Vol 57 (6) ◽  
pp. 1326-1334 ◽  
Author(s):  
Jaroslav Vojtěchovský ◽  
Jindřich Hašek ◽  
Stanislav Nešpůrek ◽  
Mojmír Adamec
Keyword(s):  
Solid State ◽  
Uv Light ◽  
Order Reaction ◽  
Boat Conformation ◽  
X Rays ◽  
Exponential Time ◽  
First Order ◽  
Double Plane ◽  
The Mean ◽  
Independent Molecules

2,4,4,6-Tetraphenyl-4H-thiopyran, C29H22S, orthorhombic, Pna21, a = 17.980(4), b = 6.956(2), c = 34.562(11) Å, V = 4323(2) Å3, Z = 8, Dx = 1.237 g cm-3, F(000) = 1696, λ(CuKα) = 1.54184 A, μ = 1.372 mm-2, T = 294 K. The final R was 0.050 for the unique set of 3103 observed reflections. The central 4H-thiopyran ring forms a boat conformation for both symmetrically independent molecules with average boat angles 4.4(3) and 6.8(3)° at S and C(sp3), respectively. The mean planes of phenyls at the position 2 and 6 are turned from the double plane of 4H-thiopyran by 42.5(5) and 35.8(3)°, respectively. The investigated material undergoes a photochromic change in the solid state after irradiation with UV light or X-rays. The maximum of the new absorption band is situated at 564 nm. The non-exponential time dependence of photochromic bleaching is analysed in terms of a dispersive first-order reaction.

scholarly journals Electric properties of olive oil under pressure

2021 ◽  
Author(s):  
L. T. Pawlicki ◽  
R. M. Siegoczyński ◽  
S. Ptasznik ◽  
K. Marszałek
Keyword(s):  
Molecular Structure ◽  
Phase Transition ◽  
Phase Diagram ◽  
Phase Transitions ◽  
Olive Oil ◽  
Material Parameters ◽  
First Order ◽  
Long Time ◽  
Capacitive Reactance ◽  
First Order Phase

AbstractThe main purpose of the experiment was a thermodynamic research with use of the electric methods chosen. The substance examined was olive oil. The paper presents the resistance, capacitive reactance, relative permittivity and resistivity of olive. Compression was applied with two mean velocities up to 450 MPa. The results were shown as functions of pressure and time and depicted on the impedance phase diagram. The three first order phase transitions have been detected. All the changes in material parameters were observed during phase transitions. The material parameters measured turned out to be the much more sensitive long-time phase transition factors than temperature. The values of material parameters and their dependence on pressure and time were compared with the molecular structure, arrangement of molecules and interactions between them. Knowledge about olive oil parameters change with pressure and its phase transitions is very important for olive oil production and conservation.

Decomposition of 4,4'-(Diazoamino)-bis(5-methoxy-2-methylbenezenesulfonic Acid) in Solutions ofFD&C Red No. 40

1984 ◽  
Vol 67 (4) ◽  
pp. 844-845
Author(s):  
Naomi Richfield-Fratz
Keyword(s):  
Liquid Chromatography ◽  
Aqueous Solutions ◽  
Borate Buffer ◽  
Sodium Borate ◽  
First Order ◽  
First Order Kinetics ◽  
Color Additive ◽  
Sodium Borate Buffer

Abstract 4,4'-(Diazoamino)-bis(5-methoxy-2-methylbenzenesuIfonic acid), when present as a reaction by-product in FD&C Red No. 40, is shown to decompose rapidly in aqueous solutions of the color additive. The decomposition is halted by the addition of sodium borate buffer. Quantitationly liquid chromatography shows that decomposition is nonlinear with time and follows approximate first order kinetics.

scholarly journals Comparative Study of Chemical Stability of Two H1Antihistaminic Drugs, Terfenadine and ItsIn VivoMetabolite Fexofenadine, Using LC-UV Methods

2019 ◽  
Vol 2019 ◽  
pp. 1-10
Author(s):  
Anna Gumieniczek ◽  
Anna Berecka-Rycerz ◽  
Rafał Pietraś ◽  
Izabela Kozak ◽  
Karolina Lejwoda ◽  
...  
Keyword(s):  
Comparative Study ◽  
Chemical Stability ◽  
First Order ◽  
First Order Kinetics ◽  
Kinetics Of Degradation ◽  
Effects Of Temperature ◽  
High Doses ◽  
Antihistaminic Drugs ◽  
Kinetics Of

A comparative study of chemical stability of terfenadine (TER) and itsin vivometabolite fexofenadine (FEX) was performed. Both TER and FEX were subjected to high temperature at different pH and UV/VIS light at different pH and then quantitatively analyzed using new validated LC-UV methods. These methods were used to monitor the degradation processes and to determine the kinetics of degradation for both the compounds. As far as the effects of temperature and pH were concerned, FEX occurred more sensitive to degradation than TER. As far as the effects of UV/VIS light and pH were concerned, the both drugs were similarly sensitive to high doses of light. Using all stress conditions, the processes of degradation of TER and FEX followed the first-order kinetics. The results obtained for these two antihistaminic drugs could be helpful in developing their new derivatives with higher activity and stability at the same time.

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