scholarly journals Peritectic Phase Transition of Benzene and Acetonitrile and Formation of a Cocrystal Relevant to Titan, Saturn’s Icy Moon

2020 ◽  
Author(s):  
Christina McConville ◽  
Yunwen Tao ◽  
hayden evans ◽  
Benjamin A. Trump ◽  
Jonathan B Lefton ◽  
...  
Keyword(s):  
Organic Molecules ◽  
Binary Phase Diagram ◽  
Polar Space ◽  
Scanning Calorimetry ◽  
Chemical Laboratory ◽  
X Ray ◽  
Composition And Structure ◽  
Reliable Model ◽  
The Stability

Benzene and acetonitrile are two of the most commonly used solvents found in almost every chemical laboratory. Titan, Saturn’s icy moon, is one other place in the Solar system that has even larger amounts of these compounds, together with many other hydrocarbons. On Titan, organic molecules are produced in the atmosphere and carried by methane rainfall to the surface, where they either dissolve in the lakes, deposit as sandy dunes, or solidify as minerals with complex composition and structure. In order to untangle these structural complexities a reliable model of the phase behavior of these compounds at temperatures relevant to Titan is crucial. We therefore report the composition–temperature binary phase diagram of acetonitrile and benzene, and provide a detailed account of the structure and composition of the phases. This work is based on differential scanning calorimetry and in situ powder diffraction analyses with synchrotron X-ray radiation and supported by theoretical modeling. Benzene and acetonitrile were found to undergo a peritectic reaction into a cocrystal with a 1:3 acetonitrile:benzene stoichiometry. The crystal structure was solved and refined in the polar space group, R3, and the solution was confirmed and optimized by energy minimization calculations. To mimic the environment on Titan more accurately, we tested the stability of the structure under liquid ethane. The diffraction data indicate that the cocrystal undergoes further change upon contact with ethane. These results provide new insights into the structure and stability of a potential mineral on Titan, and contribute to the fundamental knowledge of some of the smallest organic molecules

scholarly journals Peritectic Phase Transition of Benzene and Acetonitrile and Formation of a Cocrystal Relevant to Titan, Saturn’s Icy Moon

2020 ◽  
Author(s):  
Christina McConville ◽  
Yunwen Tao ◽  
hayden evans ◽  
Benjamin A. Trump ◽  
Jonathan B Lefton ◽  
...  
Keyword(s):  
Organic Molecules ◽  
Binary Phase Diagram ◽  
Polar Space ◽  
Scanning Calorimetry ◽  
Chemical Laboratory ◽  
X Ray ◽  
Composition And Structure ◽  
Reliable Model ◽  
The Stability

Benzene and acetonitrile are two of the most commonly used solvents found in almost every chemical laboratory. Titan, Saturn’s icy moon, is one other place in the Solar system that has even larger amounts of these compounds, together with many other hydrocarbons. On Titan, organic molecules are produced in the atmosphere and carried by methane rainfall to the surface, where they either dissolve in the lakes, deposit as sandy dunes, or solidify as minerals with complex composition and structure. In order to untangle these structural complexities a reliable model of the phase behavior of these compounds at temperatures relevant to Titan is crucial. We therefore report the composition–temperature binary phase diagram of acetonitrile and benzene, and provide a detailed account of the structure and composition of the phases. This work is based on differential scanning calorimetry and in situ powder diffraction analyses with synchrotron X-ray radiation and supported by theoretical modeling. Benzene and acetonitrile were found to undergo a peritectic reaction into a cocrystal with a 1:3 acetonitrile:benzene stoichiometry. The crystal structure was solved and refined in the polar space group, R3, and the solution was confirmed and optimized by energy minimization calculations. To mimic the environment on Titan more accurately, we tested the stability of the structure under liquid ethane. The diffraction data indicate that the cocrystal undergoes further change upon contact with ethane. These results provide new insights into the structure and stability of a potential mineral on Titan, and contribute to the fundamental knowledge of some of the smallest organic molecules

scholarly journals The α–β phase transition in volcanic cristobalite

2014 ◽  
Vol 47 (4) ◽  
pp. 1205-1215 ◽  
Author(s):  
David E. Damby ◽  
Edward W. Llewellin ◽  
Claire J. Horwell ◽  
Ben J. Williamson ◽  
Jens Najorka ◽  
...  
Keyword(s):  
Phase Transition ◽  
Ambient Temperature ◽  
Volcanic Ash ◽  
Phase Identification ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Β Phase ◽  
The Stability ◽  
First Time

Cristobalite is a common mineral in volcanic ash produced from dome-forming eruptions. Assessment of the respiratory hazard posed by volcanic ash requires understanding the nature of the cristobalite it contains. Volcanic cristobalite contains coupled substitutions of Al3+ and Na+ for Si4+; similar co-substitutions in synthetic cristobalite are known to modify the crystal structure, affecting the stability of the α and β forms and the observed transition between them. Here, for the first time, the dynamics and energy changes associated with the α–β phase transition in volcanic cristobalite are investigated using X-ray powder diffraction with simultaneous in situ heating and differential scanning calorimetry. At ambient temperature, volcanic cristobalite exists in the α form and has a larger cell volume than synthetic α-cristobalite; as a result, its diffraction pattern sits between ICDD α- and β-cristobalite library patterns, which could cause ambiguity in phase identification. On heating from ambient temperature, volcanic cristobalite exhibits a lower degree of thermal expansion than synthetic cristobalite, and it also has a lower α–β transition temperature (∼473 K) compared with synthetic cristobalite (upwards of 543 K); these observations are discussed in relation to the presence of Al3+ and Na+ defects. The transition shows a stable and reproducible hysteresis loop with α and β phases coexisting through the transition, suggesting that discrete crystals in the sample have different transition temperatures.

scholarly journals A Superhydrophobic, Antibacterial, and Durable Surface of Poplar Wood

Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1885
Author(s):  
Xinyu Wu ◽  
Feng Yang ◽  
Jian Gan ◽  
Zhangqian Kong ◽  
Yan Wu
Keyword(s):  
Stearic Acid ◽  
Antibacterial Properties ◽  
Alkali Resistance ◽  
Poplar Wood ◽  
X Ray Diffraction ◽  
X Ray ◽  
Different Temperatures ◽  
Acid And Alkali Resistance ◽  
The Stability

The silver particles were grown in situ on the surface of wood by the silver mirror method and modified with stearic acid to acquire a surface with superhydrophobic and antibacterial properties. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and X-ray energy spectroscopy (XPS) were used to analyze the reaction mechanism of the modification process. Scanning electron microscopy (SEM) and contact angle tests were used to characterize the wettability and surface morphology. A coating with a micro rough structure was successfully constructed by the modification of stearic acid, which imparted superhydrophobicity and antibacterial activity to poplar wood. The stability tests were performed to discuss the stability of its hydrophobic performance. The results showed that it has good mechanical properties, acid and alkali resistance, and UV stability. The durability tests demonstrated that the coating has the function of water resistance and fouling resistance and can maintain the stability of its hydrophobic properties under different temperatures of heat treatment.

scholarly journals High temperature structural study of decagonal Al-Cu-Rh quasicrystal.

2014 ◽  
Vol 70 (a1) ◽  
pp. C94-C94
Author(s):  
Pawel Kuczera ◽  
Walter Steurer
Keyword(s):  
Structural Changes ◽  
Configurational Entropy ◽  
Lattice Vibrations ◽  
X Ray Diffraction ◽  
Stabilization Mechanism ◽  
X Ray ◽  
Comparative Structure ◽  
The Stability

The structure of d(ecagonal)-Al-Cu-Rh has been studied as a function of temperature by in-situ single-crystal X-ray diffraction in order to contribute to the discussion on energy or entropy stabilization of quasicrystals (QC) [1]. The experiments were performed at 293 K, 1223 K, 1153 K, 1083 K, and 1013 K. A common subset of 1460 unique reflections was used for the comparative structure refinements at each temperature. The results obtained for the HT structure refinements of d-Al-Cu-Rh QC seem to contradict a pure phasonic-entropy-based stabilization mechanism [2] for this QC. The trends observed for the ln func(I(T1 )/I(T2 )) vs.|k⊥ |^2 plots indicate that the best on-average quasiperiodic order exists between 1083 K and 1153 K, however, what that actually means is unclear. It could indicate towards a small phasonic contribution to entropy, but such contribution is not seen in the structure refinements. A rough estimation of the hypothetic phason instability temperature shows that it would be kinetically inaccessible and thus the phase transition to a 12 Å low T structure (at ~800 K) is most likely not phason-driven. Except for the obvious increase in the amplitude of the thermal motion, no other significant structural changes, in particular no sources of additional phason-related configurational entropy, were found. All structures are refined to very similar R-values, which proves that the quality of the refinement at each temperature is the same. This suggests, that concerning the stability factors, some QCs could be similar to other HT complex intermetallic phases. The experimental results clearly show that at least the ~4 Å structure of d-Al-Cu-Rh is a HT phase therefore entropy plays an important role in its stabilisation mechanism lowering the free energy. However, the main source of this entropy is probably not related to phason flips, but rather to lattice vibrations, occupational disorder unrelated to phason flips like split positions along the periodic axis.

Molecular Grafting on Si(111) Surfaces: An Electrochemical Approach

1996 ◽  
Vol 451 ◽  
Author(s):  
C. Henry de Villeneuve ◽  
J. Pinson ◽  
F. Ozanam ◽  
J. N. Chazalviel ◽  
P. Allongue
Keyword(s):  
Aqueous Solution ◽  
Electrochemical Method ◽  
Organic Molecules ◽  
Diazonium Salts ◽  
Molecular Films ◽  
Electrochemical Approach ◽  
The Stability ◽  
Structural Characterizations ◽  
Direct Attachment

ABSTRACTThis works addresses the question of the direct attachment of organic molecules on Si(111) by an electrochemical method. Anodic grafting of -OR group is demonstrated by in-situ STM and the LDOS characterized. The grafting of aryl groups, by reduction of aryl diazonium salts in aqueous solution, is also described. This approach leads to well ordered and close-packed thin molecular films with various functionality. Different chemical and structural characterizations conclude to a Si-C binding, between the Si surface and aryl groups. The stability of films is also investigated.

scholarly journals FORMULATION AND EVALUATION OF DOXORUBICIN CONTAINING NANOGELS FOR DELIVERY TO CANCER CELLS

2018 ◽  
Vol 8 (5) ◽  
pp. 178-183
Author(s):  
Manish Kumar ◽  
Hemant K. Sharma
Keyword(s):  
Average Particle Size ◽  
Gellan Gum ◽  
Cross Linking ◽  
Average Particle ◽  
Scanning Calorimetry ◽  
Green Method ◽  
X Ray ◽  
Oppositely Charged ◽  
Chemical Cross Linking

The objective of this study is to prepare nanogels were prepared via charged gellan gum. It was prepared by in situ cross linking reaction between two oppositely charged materials by green method without use of chemical cross linking agents. The prepared nanogels were characterized by Dynamic light scattering, scanning electron microscopy, differential scanning calorimetry and X- Ray diffractometry. The prepared formulation had average particle size of 226 nm with polydispersity index of 0.3. The doxorubicin loaded nanogel demonstrated sustained release for 20 h. The prepared nanogels were hemocompatible and cyctocompatible as revealed by hemocompatibility and MTT assay respectively. All results confirmed that these nanogels can be used for cancer treatment. Keywords: Nanogel, Chitosan, Gellan gum, Doxorubicin, Cancer.

scholarly journals Characterization of the Interface Between the Bulk Glass Forming Alloy Zr41Ti14Cu12Ni10Be23 with Pure Metals and Ceramics

2000 ◽  
Vol 15 (7) ◽  
pp. 1617-1621 ◽  
Author(s):  
Jan Schroers ◽  
Konrad Samwer ◽  
Frigyes Szuecs ◽  
William L. Johnson
Keyword(s):  
Sessile Drop ◽  
Bulk Glass ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Glass Forming ◽  
Processing Times ◽  
Thermal Stability Of

The reaction of the bulk glass forming alloy Zr41Ti14Cu12Ni10Be23 (Vit 1) with W, Ta, Mo, AlN, Al2O3, Si, graphite, and amorphous carbon was investigated. Vit 1 samples were melted and subsequently solidified after different processing times on discs of the different materials. Sessile drop examinations of the macroscopic wetting of Vit 1 on the discs as a function of temperature were carried out in situ with a digital optical camera. The reactions at the interfaces between the Vit 1 sample and the different disc materials were investigated with an electron microprobe. The structure and thermal stability of the processed Vit 1 samples were examined by x-ray diffraction and differential scanning calorimetry. The results are discussed in terms of possible applications for composite materials.

scholarly journals Evidence for the stability of ultrahydrous stishovite in Earth’s lower mantle

2019 ◽  
Vol 117 (1) ◽  
pp. 184-189 ◽  
Author(s):  
Yanhao Lin ◽  
Qingyang Hu ◽  
Yue Meng ◽  
Michael Walter ◽  
Ho-Kwang Mao
Keyword(s):  
Transition Zone ◽  
Lower Mantle ◽  
Water Reservoir ◽  
Weight Percent ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mineral Components ◽  
The Stability ◽  
Stability Of Water

The distribution and transportation of water in Earth’s interior depends on the stability of water-bearing phases. The transition zone in Earth’s mantle is generally accepted as an important potential water reservoir because its main constituents, wadsleyite and ringwoodite, can incorporate weight percent levels of H2O in their structures at mantle temperatures. The extent to which water can be transported beyond the transition zone deeper into the mantle depends on the water carrying capacity of minerals stable in subducted lithosphere. Stishovite is one of the major mineral components in subducting oceanic crust, yet the capacity of stishovite to incorporate water beyond at lower mantle conditions remains speculative. In this study, we combine in situ laser heating with synchrotron X-ray diffraction to show that the unit cell volume of stishovite synthesized under hydrous conditions is ∼2.3 to 5.0% greater than that of anhydrous stishovite at pressures of ∼27 to 58 GPa and temperatures of 1,240 to 1,835 K. Our results indicate that stishovite, even at temperatures along a mantle geotherm, can potentially incorporate weight percent levels of H2O in its crystal structure and has the potential to be a key phase for transporting and storing water in the lower mantle.

scholarly journals Effect of H2O on the Pressure-Induced Amorphization of Hydrated AlPO4-17

Molecules ◽  
2019 ◽  
Vol 24 (16) ◽  
pp. 2864 ◽  
Author(s):  
Frederico G. Alabarse ◽  
Boby Joseph ◽  
Andrea Lausi ◽  
Julien Haines
Keyword(s):  
Pressure Range ◽  
Silicone Oil ◽  
Structural Response ◽  
Microporous Material ◽  
X Ray ◽  
Guest Species ◽  
Order Of Magnitude ◽  
Diamond Anvil ◽  
The Stability

The incorporation of guest species in zeolites has been found to strongly modify their mechanical behavior and their stability with respect to amorphization at high pressure (HP). Here we report the strong effect of H2O on the pressure-induced amorphization (PIA) in hydrated AlPO4-17. The material was investigated in-situ at HP by synchrotron X-ray powder diffraction in diamond anvil cells by using non- and penetrating pressure transmitting media (PTM), respectively, silicone oil and H2O. Surprisingly, in non-penetrating PTM, its structural response to pressure was similar to its anhydrous phase at lower pressures up to ~1.4 GPa, when the amorphization was observed to start. Compression of the structure of AlPO4-17 is reduced by an order of magnitude when the material is compressed in H2O, in which amorphization begins in a similar pressure range as in non-penetrating PTM. The complete and irreversible amorphization was observed at ~9.0 and ~18.7 GPa, respectively, in non- and penetrating PTM. The present results show that the insertion of guest species can be used to strongly modify the stability of microporous material with respect to PIA, by up to an order of magnitude.

scholarly journals The Preparation and Characterization of Polyacrylonitrile-Polyaniline (PAN/PANI) Fibers

Materials ◽  
2019 ◽  
Vol 12 (4) ◽  
pp. 664 ◽  
Author(s):  
Iwona Karbownik ◽  
Olga Rac-Rumijowska ◽  
Marta Fiedot-Toboła ◽  
Tomasz Rybicki ◽  
Helena Teterycz
Keyword(s):  
Specific Resistance ◽  
Strong Interactions ◽  
Mechanical Parameters ◽  
Dsc Analysis ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Strength Tests ◽  
Pan Fibers

The paper presents a method of modifying polyacrylonitrile (PAN) fibers using polyaniline (PANI). The PAN fibers were doped with polyaniline that was obtained in two different ways. The first consisted of doping a spinning solution with polyaniline that was synthesized in an aqueous solution (PAN/PANI blended), and the second involved the synthesis of polyaniline directly in the spinning solution (PAN/PANI in situ). The obtained fibers were characterized by the methods: X-ray powder diffraction (XRD), scanning electron microscope (SEM), fourier-transform infrared spectroscopy (FTIR), thermogravimetry (TG) and differential scanning calorimetry (DSC). Analysis of the results showed strong interactions between the nitrile groups of polyacrylonitrile and polyaniline in the PAN/PANI in situ fibers. The results of mechanical strength tests indicated that the performance of the PAN/PANI mixture significantly improved the mechanical parameters of polyaniline, although these fibers had a weaker strength than the unmodified PAN fibers. The fibers obtained as a result of the addition of PANI to PAN were dielectric, whereas the PANI-synthesized in situ were characterized by a mass-specific resistance of 5.47 kΩg/cm2.

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