Chemical dynamics of the reactions of O(1D2) with saturated hydrocarbons

1980 ◽  
Vol 73 (3) ◽  
pp. 1143-1152 ◽  
Author(s):  
A. C. Luntz
Keyword(s):  
Chemical Dynamics ◽  
Saturated Hydrocarbons

Liquid Crystal Trimers Incorporating Saturated Isosteres of Benzene and Exhibiting Modulated Nematic Phases

2019 ◽  
Author(s):  
Adam Al-Janabi ◽  
Richard Mandle
Keyword(s):  
Liquid Crystal ◽  
Helical Structure ◽  
Molecular Shape ◽  
Saturated Hydrocarbons ◽  
Fluid System ◽  
Structural Requirement ◽  
Disubstituted Benzene ◽  
Bona Fide ◽  
Nematic Phases ◽  
Bend Angles

<p>The nematic twist-bend (N<sub>TB</sub>) liquid crystal phase possesses a local helical structure with a pitch length of a few nanometres and is the first example of spontaneous symmetry breaking in a fluid system. All known examples of the N­<sub>TB­</sub> phase occur in materials whose constituent mesogenic units are aromatic hydrocarbons. It is not clear if this is due to synthetic convenience or a <i>bona fide</i> structural requirement for a material to exhibit this phase of matter. In this work we demonstrate that materials consisting largely of saturated hydrocarbons could also give rise to this mesophase. Furthermore, replacement of 1,4-disubstituted benzene with <i>trans</i> 1,4-cyclohexane or even 1,4-cubane does not especially alter the transition temperatures of the resulting material nor does it appear to impact upon the heliconical tilt angle, suggesting the local structure of the phase is unperturbed. Calculating the probability distribution of bend angles reveals that the choice of isosteric group has little impact on the overall molecular shape, demonstrating the shape-driven nature of the N<sub>TB</sub> phase. </p>

A New Study of Shape and Size-dependent Properties of Nanocrystals Utilizing the Fractional Fourier Transform

2020 ◽  
Vol 5 (2) ◽  
pp. 165-174
Author(s):  
Aeshah Salem
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Fourier Transform Infrared Spectroscopy ◽  
Surface Area ◽  
Fractional Fourier Transform ◽  
Fourier Transform Infrared ◽  
Chemical Dynamics ◽  
Znse Nanoparticles ◽  
Size Dependent ◽  
Shape And Size

Background: Possessions of components, described by their shape and size (S&S), are certainly attractive and has formed the foundation of the developing field of nanoscience. Methods: Here, we study the S&S reliant on electronic construction and possession of nanocrystals by semiconductors and metals to explain this feature. We formerly considered the chemical dynamics of mineral nanocrystals that are arranged according to the S&S not only for the big surface area, but also as a consequence of the considerably diverse electronic construction of the nanocrystals. Results: The S&S of models, approved by using the Fractional Fourier Transform Infrared Spectroscopy (FFTIR), indicate the construction of CdSe and ZnSe nanoparticles. Conclusion: In order to study the historical behavior of the nanomaterial in terms of S&S and estimate further results, the FFTIR was used to solve this project.

An Introduction to Nonlinear Chemical Dynamics

1998 ◽  
Author(s):  
Irving R. Epstein ◽  
John A. Pojman
Keyword(s):  
Flow Reactor ◽  
Chemical Dynamics ◽  
Design Data ◽  
Chemical Oscillators ◽  
Starting Point ◽  
Hands On ◽  
Undergraduate Laboratory ◽  
History Of ◽  
Mechanistic Basis ◽  
Nonlinear Chemical Dynamics

Just a few decades ago, chemical oscillations were thought to be exotic reactions of only theoretical interest. Now known to govern an array of physical and biological processes, including the regulation of the heart, these oscillations are being studied by a diverse group across the sciences. This book is the first introduction to nonlinear chemical dynamics written specifically for chemists. It covers oscillating reactions, chaos, and chemical pattern formation, and includes numerous practical suggestions on reactor design, data analysis, and computer simulations. Assuming only an undergraduate knowledge of chemistry, the book is an ideal starting point for research in the field. The book begins with a brief history of nonlinear chemical dynamics and a review of the basic mathematics and chemistry. The authors then provide an extensive overview of nonlinear dynamics, starting with the flow reactor and moving on to a detailed discussion of chemical oscillators. Throughout the authors emphasize the chemical mechanistic basis for self-organization. The overview is followed by a series of chapters on more advanced topics, including complex oscillations, biological systems, polymers, interactions between fields and waves, and Turing patterns. Underscoring the hands-on nature of the material, the book concludes with a series of classroom-tested demonstrations and experiments appropriate for an undergraduate laboratory.

scholarly journals Production of Fuels and Chemicals from a CO2/H2 Mixture

Reactions ◽  
2020 ◽  
Vol 1 (2) ◽  
pp. 130-146
Author(s):  
Yali Yao ◽  
Baraka Celestin Sempuga ◽  
Xinying Liu ◽  
Diane Hildebrandt
Keyword(s):  
Co2 Hydrogenation ◽  
Water Gas Shift ◽  
Liquid Fuels ◽  
Saturated Hydrocarbons ◽  
Reverse Water Gas Shift ◽  
Cu Catalyst ◽  
In Series ◽  
Fuels And Chemicals ◽  
Water Gas ◽  
Aspen Simulation

In order to explore co-production alternatives, a once-through process for CO2 hydrogenation to chemicals and liquid fuels was investigated experimentally. In this approach, two different catalysts were considered; the first was a Cu-based catalyst that hydrogenates CO2 to methanol and CO and the second a Fisher–Tropsch (FT) Co-based catalyst. The two catalysts were loaded into different reactors and were initially operated separately. The experimental results show that: (1) the Cu catalyst was very active in both the methanol synthesis and reverse-water gas shift (R-WGS) reactions and these two reactions were restricted by thermodynamic equilibrium; this was also supported by an Aspen plus simulation of an (equilibrium) Gibbs reactor. The Aspen simulation results also indicated that the reactor can be operated adiabatically under certain conditions, given that the methanol reaction is exothermic and R-WGS is endothermic. (2) the FT catalyst produced mainly CH4 and short chain saturated hydrocarbons when the feed was CO2/H2. When the two reactors were coupled in series and the presence of CO in the tail gas from the first reactor (loaded with Cu catalyst) significantly improves the FT product selectivity toward higher carbon hydrocarbons in the second reactor compared to the standalone FT reactor with only CO2/H2 in the feed.

scholarly journals Visualizing ultrafast chemical dynamics with X-rays

2020 ◽  
Vol 117 (43) ◽  
pp. 26550-26552
Author(s):  
Roseanne J. Sension
Keyword(s):  
Chemical Dynamics ◽  
X Rays

scholarly journals The Rise of Neural Networks for Materials and Chemical Dynamics

2021 ◽  
pp. 6227-6243
Author(s):  
Maksim Kulichenko ◽  
Justin S. Smith ◽  
Benjamin Nebgen ◽  
Ying Wai Li ◽  
Nikita Fedik ◽  
...  
Keyword(s):  
Neural Networks ◽  
Chemical Dynamics

Characteristics in oxidative degradation by ozone for saturated hydrocarbons in soil contaminated with diesel fuel

Chemosphere ◽  
2007 ◽  
Vol 66 (5) ◽  
pp. 799-807 ◽  
Author(s):  
Do-Yun Yu ◽  
Namgoo Kang ◽  
Wookeun Bae ◽  
M. Katherine Banks
Keyword(s):  
Diesel Fuel ◽  
Oxidative Degradation ◽  
Saturated Hydrocarbons
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