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Paul Salipante, Ryan Murphy, Steve Kuei, Jeffrey Fagan, Christopher Sims, Kathleen Weigandt, Steven Hudson
Rod-like particles are efficient rheology modifiers and are commonly found in a variety of biological and industrially relevant suspensions, from biofilaments to worm-like surfactant micelles. These suspensions display strong shear-thinning behavior, and
We develop a rheological model to approximate the nonlinear rheology of wormlike micelles using two constitutive models to represent a structural transition at high shear rates. The model is intended to describe the behavior of semidilute wormlike micellar
Applications often expose wormlike micelle solutions to a very wide range of shear and temperature conditions. The two-species model presented in Part I [Salipante et al., J. Rheol. 68 (2024)] describes the nonlinear rheology over a wide range of shear
McKenzie Coughlin, Derek Huang, Caitlyn Edgar, Anthony Kotula, Kalman Migler
Polyolefins, including high density polyethylene (HDPE) and isotactic polypropylene (iPP), account for over half of the worldwide plastics market and have wide-ranging applications. Recycling of these materials is hindered due to separation difficulties as
Molecular simulations of water adsorption in porous materials often converge slowly due to sampling bottlenecks that follow from hydrogen bonding and, in many cases, the formation of water clusters. These effects may be exacerbated in metal-organic
In this work, we compiled and evaluated various properties pertaining to the heats of combustion of about 420 compounds of physical, chemical, and engineering interest. This includes boiling points, melting points, latent heats (enthalpies) of vaporization
Ran Tao, Sukrut Prashant Phansalkar, Aaron M. Forster, Bongtae Han
Cure kinetics of epoxy molding compounds (EMCs) is a fundamental material property that affects the molding process of semiconductor chips and final package performance. However, due to measurement challenges related to the small polymer fraction, only the
Suphat Watanasiri, Kristiina Iisa, Eugene Paulechka, Earl Christensen, Chris Muzny, Abhijit Dutta
Catalytic fast pyrolysis (CFP) of wood, woody residues, and agricultural waste has the potential to produce organic liquid intermediates that can be hydroprocessed to sustainable aviation fuels (SAF). In this article we present results of property
Superancillary equations are presented for the PC-SAFT equation of state of Gross and Sadowski for nonpolar pure fluids. The equations cover the range of a number of segments from 1 to 64. These equations, formed as nested sets of Chebyshev expansions
Xiaoxian Yang, Xiong Xiao, Monika Thol, Markus Richter, Ian Bell
In our previous work, a residual entropy scaling (RES) approach was developed to link viscosity to residual entropy (a thermodynamic property calculated with an equation of state, EoS) using a simple polynomial equation for refrigerants. This work extends
Computational screening of adsorbent materials often uses the Henry's law constant ($\KH$) (at a particular temperature) as a first discriminator metric due to its relative ease of calculation. The isosteric heat of adsorption in the limit of zero pressure
Edward Garboczi, Mohammad Balapour, Mohammad Khaneghahi, Yick Hsuan, Diana Hun, Yaghoob Farnam
In this study, an off-spec fly ash-based spherical lightweight aggregate (LWA), designated SPoRA, was manufactured through a pilot-scale production and its engineering properties, including specific gravity, dry rodded unit weight, water absorption
Edward Garboczi, Sharu Kandy, Iman Mehdipour, Narayanan Neithalath, Aditya Kumar, Mathieu Bauchy, Samanvaya Srivastava, Torben Gaedt, Gaurav Sant
Extrusion-based 3D printing with rapidly hardening polymeric materials is capable of building almost any conceivable structure. However, concrete, one of the most widely used materials for large-scale structural components, is generally based on inorganic
This work uses advanced numerical techniques (complex differentiation and automatic differentiation) to efficiently and accurately compute all the required thermodynamic properties of an equation of state without any analytical derivatives─particularly
In this work, new thermodynamic models for refrigerant mixtures are provided for the binary pairs R-1234yf/134a, R-1234yf/1234ze(E), and R-134a/1234ze(E) based on new reference measurements of speed of sound, density, and bubble-point pressures. Fitting
Daniele Ongari, Leopold Talirz, Kevin Maik Jablonka, Daniel Siderius, Berend Smit
Porous metal-organic frameworks are a class of materials with great promise in gas separation and gas storage applications. Due to the large material space, computational screening techniques have long been an important part of the scientific toolbox