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Chemistry

Chemical engineering & processing

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Displaying 26 - 50 of 400

Recommendation system to predict missing adsorption properties of nanoporous materials

September 7, 2021
Author(s)
Arni Sturluson, Ali Raza, Grant McConachie, Daniel Siderius, Xaioli Fern, Cory Simon
Nanoporous materials (NPMs) selectively adsorb and concentrate gases into their pores and thus could be used to store, capture, and sense many different gases. Modularly synthesized classes of NPMs, such as covalent organic frameworks (COFs), offer a large

Fluorescence Microscopy Reveals Structure-Property Relationships and Polymer Dynamics in Biocomposites

July 21, 2021
Author(s)
Quinn Easter, Shawn Chen, Jeremiah Woodcock, Amanda Souna, Sindhu Seethamraju, Jan Obrzut, Douglas M. Fox, Stephan J. Stranick, Jeffrey Gilman
OBJECTIVES: Developing the next generation of materials for use in restorative work requires a multifaceted approach. While mimicking the properties of the tooth, currently available dental composites and porcelains eventually fail and require replacement

Additives for Superconformal Gold Feature Filling

May 11, 2021
Author(s)
Daniel Josell, Thomas P. Moffat
An overview of the effect of additives on Au electrodeposition from Na3Au(SO3)2 based electrolytes is presented with an emphasis on filling of fully metallized recessed surface features such as trenches and vias. The impact of heavy metals additives Tl+

Simulation of Copper Electrodeposition in Millimeter Size Through-Silicon Vias

December 16, 2020
Author(s)
Trevor Braun, Daniel Josell, Thomas P. Moffat
Computational predictions of copper deposition in millimeter size through-silicon vias (mm-TSV) are presented based on localized breakdown of a co-adsorbed polyether-chloride suppressor layer. The model builds upon previous work on localized Cu deposition

Probing Electrified Liquid-Solid Interfaces with Scanning Electron Microscopy

December 2, 2020
Author(s)
Hongxuan Guo, Alexander Yulaev, Evgheni Strelcov, Alexander Tselev, Christopher M. Arble, Andras Vladar, John S. Villarrubia, Andrei Kolmakov
The mean free path of secondary electrons in aqueous solutions is on the order of a nanometer, making them a suitable probe of ultrathin electrical double layers at solid-liquid electrolyte interfaces. Employing graphene as an electron-transparent

Kinetics of Isopropanol Decomposition and Reaction with H atoms from Shock Tube Experiments and Rate Constant Optimization using the Method of Uncertainty Minimization using Polynomial Chaos Expansions (MUM-PCE)

September 28, 2020
Author(s)
Laura A. Mertens, Jeffrey A. Manion
Recent interest in isopropanol (2-propanol, C3H¬7OH) combustion stems from its potential as a renewable biofuel. Here, we report shock tube investigations of isopropanol decomposition and reaction with H atoms at (918 to 1212) K and (158 to 484) kPa

High-density polyethylene - an inert additive with stabilizing effects on organic field-effect transistors

September 11, 2020
Author(s)
Alberto Scaccabarozzi, James Basham, Liyang Yu, Paul Westcott, Weimin Zhang, Aram Amassian, Iain McCulloch, Mario Caironi, David J. Gundlach, Natalie Stingelin
Organic electronics technologies have attracted considerable interest over the last decades and have become promising alternatives to conventional, inorganic platforms for specific applications. To fully exploit the touted potential of plastic electronics

Efficient electrically-powered CO2-to-ethanol via suppression of deoxygenation

May 11, 2020
Author(s)
Xue Wang, Wang Ziyun, F. P. Garcia de Arquer, Cao-Thang Dinh, Adnan Ozden, Yuguang C. Li, Dae-Hyun Nam, Jun Li, Yi-Sheng Liu, Joshua Wicks, Zitao Chen, Miaofang Chi, Bin Chen, Ying Wang, Jason Tam, Jane Y. Howe, Andrew Proppe, Peter Todrovic, Fengwang Li, Tao-Tao Zhuang, Christine M. Garbardo, Ahmad R. Kirmani, Christopher McCallum, Yanwei Lum, Mingchuan Luo, Yimeng Min, Aoni Xu, Colin P. O'Brien, Bello Stephen, Bin Sun, Alexander H. Ip, Lee Richter, Shana O. Kelley, David Sinton, Edward H. Sargent
The carbon dioxide electroreduction reaction (CO2RR) provides avenues to the production renewable ethanol, a high-energy-density fuel. Unfortunately, until now, the ethanol Faradaic efficiency (FE) has lain below 27% in CO2RR studies reported at total

Dispersing nanosized portlandite particulates via electrosteric exclusion at short screening lengths

March 16, 2020
Author(s)
Jason Timmons, Iman Mehdipour, Shang Gao, Hakan Atahan, Narayanan Neithalath, Mathieu Bauchy, Edward Garboczi, Samanvaya Srivastava, Gaurav Sant
In spite of their high surface charge (ζ = + 34 mV), aqueous suspensions of portlandite (calcium hydroxide: Ca(OH)2) exhibit a strong tendency to aggregate, and thereby present unstable suspensions. While a variety of commercial dispersants seek to modify

High-Throughput Exploration of Lithium-Alloy Protection Layers for High-Performance Lithium-Metal Batteries

February 13, 2020
Author(s)
Jamie L. Weaver, Kedar Manandhar, Yaoyu Ren, Drew Stasak, Huilong Hou, Dylan Kirsch, Suchismita Sarker, Apurva Mehta, Saydul Sardar, Muye Xiao, Carlos Le?n, Gus Hart, Takeshi Sunaoshi, John Lemmon, Ichiro Takeuchi
To realize high specific capacity Li-metal batteries, a protection layer for the Li-metal anode is needed. We are carrying out combinatorial screening of Li-alloy thin films as the protection layer which can undergo significant lithiation with minimum

Covariance-based uncertainty analysis of reference equations of state

January 6, 2020
Author(s)
Howard Cheung, Jerome Frutiger, Ian Bell, Jens Abildskov, Gurkan Sin, Shengwei Wang
This work presents a detailed methodology for uncertainty analysis applied to a reference equation of state (EOS) based on Helmholtz energy. With increasing interest in uncertainties of thermal process models, it is important to quantify the property

CO2 electrolysis to multicarbon products at activities greater than 1 A cm(-2)

December 23, 2019
Author(s)
Lee J. Richter, Ahmad R. Kirmani, F. P. Garcia de Arquer, Cao-Thang Dinh, Adnan Ozden, Joshua Wicks, Christopher McCallum, Gabardo M. Christine, Ali Seifitokaldani, Xue Wang, Yuguang C. Li, Fengwang Li, Jonathan Edwards, Steven J. Thorpe, David Sinton, Edward H. Sargent, Nam Dae-Hyun, Dae-Hyun Nam
Electrolysis offers an attractive route to upgrade greenhouse gases such as carbon dioxide (CO2) to valuable fuels and feedstocks; however, productivity is often limited by gas diffusion through a liquid electrolyte to the surface of the catalyst. Here, we

110th Anniversary: Properties of Imidazolium-based Ionic Liquids Bearing both Benzylic and n-Alkyl Substituents

September 4, 2019
Author(s)
Joe W. Magee, Shuai Qian, Kathryn E. O'Harra, Grayson P. Dennis, Richard D. Noble, Jason E. Bara, Alexia Finotello
Reports of imidazolium-based ionic liquids (ILs) with at least one benzylic substituent bound to the imidazolium cation is far less common than the ubiquitous 1-alkyl-3-methylimidazolium ILs ([Cnmim][X]). Yet, there is significant motivation to determining

Liquid Viscosity and Surface Tension of n-Hexane, n-Octane, n-Decane, and n-Hexadecane up to 573 K by Surface Light Scattering (SLS)

August 16, 2019
Author(s)
Tobias Klein, Shaomin Yan, Junwei Cui, Joe W. Magee, Kenneth Kroenlein, Michael H. Rausch, Thomas M. Koller, Andreas P. Froba
In the present study, the simultaneous and accurate determination of liquid viscosity and surface tension of the n-alkanes n-hexane (n-C6H14), n-octane (n-C8H18), n-decane (n-C10H22), and n-hexadecane (n-C16H34) by surface light scattering (SLS) in

The role of molecular modeling & simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation

August 8, 2019
Author(s)
Arni Sturluson, Melanie Huynh, Alec Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E. Wilmer, Yamil J. Colon, Yongchul G. Chung, Daniel Siderius, Cory M. Simon
Metal-organic frameworks (MOFs) are highly tunable, extended-network, crystalline, nanoporous materials with applications in gas storage, separations, and sensing. We review how molecular models and simulations of gas adsorption in MOFs have lucidly

Characterization of bubbler performance for low-volatility liquid precursor delivery

June 27, 2019
Author(s)
James E. Maslar, William A. Kimes, Brent A. Sperling, Ravindra K. Kanjolia
The performance of a bubbler to deliver the low-volatility, liquid cobalt precursor μ2- η2-(tBu- acetylene) dicobalthexacarbonyl (CCTBA) for reduced-pressure chemical vapor deposition and atomic layer deposition processes was characterized. A relatively
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