scholarly journals New Insights on Expandability of Pre-Cured Epoxy Using a Solid-State CO2-Foaming Technique

Polymers ◽  
2021 ◽  
Vol 13 (15) ◽  
pp. 2441
Author(s):  
Du Ngoc Uy Lan ◽  
Christian Bethke ◽  
Volker Altstädt ◽  
Holger Ruckdäschel
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Storage Modulus ◽  
Cellular Structure ◽  
Environmental Concern ◽  
Three Dimensional ◽  
Co2 Absorption ◽  
Specific Storage ◽  
Blowing Agent ◽  
Be Star

Foaming an epoxy is challenging because the process involves the curing reaction of epoxy and hardener (from monomer to oligomer, to a gel and a final three-dimensional crosslinked network) and the loading of gas phase into the epoxy phase to develop the cellular structure. The latter process needs to be carried out at the optimum curing stage of epoxy to avoid cell coalescence and to allow expansion. The environmental concern regarding the usage of chemical blowing agent also limits the development of epoxy foams. To surmount these challenges, this study proposes a solid-state CO2 foaming of epoxy. Firstly, the resin mixture of diglycidylether of bisphenol-A (DGEBA) epoxy and polyamide hardener is pre-cured to achieve various solid-state sheets (preEs) of specific storage moduli. Secondly, these preEs undergo CO2 absorption using an autoclave. Thirdly, CO2 absorbed preEs are allowed to free-foam/expand in a conventional oven at various temperatures; lastly, the epoxy foams are post-cured. PreE has a distinctive behavior once being heated; the storage modulus is reduced and then increases due to further curing. Epoxy foams in a broad range of densities could be fabricated. PreE with a storage modulus of 4 × 104–1.5 × 105 Pa at 30 °C could be foamed to densities of 0.32–0.45 g/cm3. The cell morphologies were revealed to be star polygon shaped, spherical and irregularly shaped. The research proved that the solid-state CO2-foaming technique can be used to fabricate epoxy foams with controlled density.

A Free Energy Perturbation Approach to Estimate the Intrinsic Solubilities of Drug-like Small Molecules

2019 ◽  
Author(s):  
Sayan Mondal ◽  
Gary Tresadern ◽  
Jeremy Greenwood ◽  
Byungchan Kim ◽  
Joe Kaus ◽  
...  
Keyword(s):  
Solid State ◽  
Small Molecules ◽  
Three Dimensional ◽  
Aqueous Solubility ◽  
Computational Approach ◽  
Free Energy Perturbation ◽  
Perturbation Approach ◽  
Energy Perturbation ◽  
State Form ◽  
Good Agreement

<p>Optimizing the solubility of small molecules is important in a wide variety of contexts, including in drug discovery where the optimization of aqueous solubility is often crucial to achieve oral bioavailability. In such a context, solubility optimization cannot be successfully pursued by indiscriminate increases in polarity, which would likely reduce permeability and potency. Moreover, increasing polarity may not even improve solubility itself in many cases, if it stabilizes the solid-state form. Here we present a novel physics-based approach to predict the solubility of small molecules, that takes into account three-dimensional solid-state characteristics in addition to polarity. The calculated solubilities are in good agreement with experimental solubilities taken both from the literature as well as from several active pharmaceutical discovery projects. This computational approach enables strategies to optimize solubility by disrupting the three-dimensional solid-state packing of novel chemical matter, illustrated here for an active medicinal chemistry campaign.</p>

scholarly journals Galaxy and mass assembly (GAMA): the inferred mass–metallicity relation from z = 0 to 3.5 via forensic SED fitting

2021 ◽  
Vol 503 (3) ◽  
pp. 3309-3325
Author(s):  
Sabine Bellstedt ◽  
Aaron S G Robotham ◽  
Simon P Driver ◽  
Jessica E Thorne ◽  
Luke J M Davies ◽  
...  
Keyword(s):  
Star Formation ◽  
Gas Phase ◽  
Large Range ◽  
Three Dimensional ◽  
Cosmic Time ◽  
Slowing Down ◽  
History Of ◽  
Mass Assembly ◽  
Star Formation Histories ◽  
Cosmic History

ABSTRACT We analyse the metallicity histories of ∼4500 galaxies from the GAMA survey at z &lt; 0.06 modelled by the SED-fitting code ProSpect using an evolving metallicity implementation. These metallicity histories, in combination with the associated star formation histories, allow us to analyse the inferred gas-phase mass–metallicity relation. Furthermore, we extract the mass–metallicity relation at a sequence of epochs in cosmic history, to track the evolving mass–metallicity relation with time. Through comparison with observations of gas-phase metallicity over a large range of redshifts, we show that, remarkably, our forensic SED analysis has produced an evolving mass–metallicity relationship that is consistent with observations at all epochs. We additionally analyse the three-dimensional mass–metallicity–SFR space, showing that galaxies occupy a clearly defined plane. This plane is shown to be subtly evolving, displaying an increased tilt with time caused by general enrichment, and also the slowing down of star formation with cosmic time. This evolution is most apparent at lookback times greater than 7 Gyr. The trends in metallicity recovered in this work highlight that the evolving metallicity implementation used within the SED-fitting code ProSpect produces reasonable metallicity results over the history of a galaxy. This is expected to provide a significant improvement to the accuracy of the SED-fitting outputs.

One- and three-dimensional infinite arrays of Cu(i) ions exhibited by [Cu(NH3)2]Br and [Cu(NH3)Cl] in the solid state

2003 ◽  
pp. 956 ◽  
Author(s):  
Günter Margraf ◽  
Jan W. Bats ◽  
Michael Bolte ◽  
Hans-Wolfram Lerner ◽  
Matthias Wagner
Keyword(s):  
Solid State ◽  
Three Dimensional

Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines:  A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1

2001 ◽  
Vol 123 (37) ◽  
pp. 9045-9053 ◽  
Author(s):  
Sarah L. Hinchley ◽  
Carole A. Morrison ◽  
David W. H. Rankin ◽  
Charles L. B. Macdonald ◽  
Robert J. Wiacek ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Spontaneous Generation

Phenolic Foam from Liquefied Products of Walnut Shell in Phenol

2011 ◽  
Vol 236-238 ◽  
pp. 241-246 ◽  
Author(s):  
Yuan Bo Huang ◽  
Zhi Feng Zheng ◽  
Hao Feng ◽  
Hui Pan
Keyword(s):  
Mechanical Properties ◽  
Reaction Temperature ◽  
Cellular Structure ◽  
Tween 80 ◽  
High Yield ◽  
Walnut Shell ◽  
Blowing Agent ◽  
Phenolic Foam ◽  
Resol Resin ◽  
Alkaline Conditions

The resol-type resin was prepared with a high yield from the liquefied products of walnut shell in phenol, which was reacted with formaldehyde under low alkaline conditions. The effects of reaction temperature and time on the yield and viscosity of the resol resin were investigated. Results showed that the optimum resol resinification conditions were a reaction temperature of 80°C and a reaction time of 2 h. The biomass-based resol resin from liquefied products of walnut shell was successfully applied to produce phenolic foam with diisopropyl ether as the blowing agent, Tween 80 as the surfactant and hydrochloric acid as the catalyst, respectively. The obtained foams showed satisfactory mechanical properties and a uniform fine cellular structure.

Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers

2017 ◽  
Vol 139 (46) ◽  
pp. 16696-16707 ◽  
Author(s):  
Andrey A. Fokin ◽  
Tatyana S. Zhuk ◽  
Sebastian Blomeyer ◽  
Cristóbal Pérez ◽  
Lesya V. Chernish ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Interaction Effects ◽  
Dispersion Interaction ◽  
London Dispersion ◽  
Solid State Structures

scholarly journals Na3Co2(As0.52P0.48)O4(As0.95P0.05)2O7

2013 ◽  
Vol 69 (12) ◽  
pp. i85-i86 ◽  
Author(s):  
Youssef Ben Smida ◽  
Abderrahmen Guesmi ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Solid State ◽  
Solid State Reaction ◽  
Title Compound ◽  
General Position ◽  
Structural Model ◽  
Three Dimensional ◽  
The Other ◽  
Coordination Polyhedra ◽  
Bond Valence Sum ◽  
Full Occupancy

The title compound, trisodium dicobalt(II) (arsenate/phosphate) (diarsenate/diphosphate), was prepared by a solid-state reaction. It is isostructural with Na3Co2AsO4As2O7. The framework shows the presence of CoX22O12(X2 is statistically disordered with As0.95P0.05) units formed by sharing corners between Co1O6octahedra andX22O7groups. These units form layers perpendicular to [010]. Co2O6octahedra andX1O4(X1 = As0.54P0.46) tetrahedra form Co2X1O8chains parallel to [001]. Cohesion between layers and chains is ensured by theX22O7groups, giving rise to a three-dimensional framework with broad tunnels, running along thea- andc-axis directions, in which the Na+ions reside. The two Co2+cations, theX1 site and three of the seven O atoms lie on special positions, with site symmetries 2 andmfor the Co,mfor theX1, and 2 andm(× 2) for the O sites. One of two Na atoms is disordered over three special positions [occupancy ratios 0.877 (10):0.110 (13):0.066 (9)] and the other is in a general position with full occupancy. A comparison between structures such as K2CdP2O7, α-NaTiP2O7and K2MoO2P2O7is made. The proposed structural model is supported by charge-distribution (CHARDI) analysis and bond-valence-sum (BVS) calculations. The distortion of the coordination polyhedra is analyzed by means of the effective coordination number.

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