Browsing Chemical and Biomolecular Engineering by Title
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Modeling Integrated Cellular Machinery Using Hybrid PetriBoolean Networks
(2013)The behavior and phenotypic changes of cells are governed by a cellular circuitry that represents a set of biochemical reactions. Based on biological functions, this circuitry is divided into three types of networks, each ... 
Modeling lower critical solution temperature behavior of associating polymer brushes with classical density functional theory
(2013)We study the lower critical solution temperature (LCST) behavior of associating polymer brushes (i.e., poly(Nisopropylacrylamide)) using classical density functional theory. Without using any empirical or temperaturedependent ... 
Modeling micelle formation and interfacial properties with iSAFT classical density functional theory
(2017)Surfactants reduce the interfacial tension between phases, making them an important additive in a number of industrial and commercial applications from enhanced oil recovery to personal care products (e.g., shampoo and ... 
Modified Mason number for charged paramagnetic colloidal suspensions
(2016)The dynamics of magnetorheological fluids have typically been described by the Mason number, a governing parameter defined as the ratio between viscous and magnetic forces in the fluid. For most experimental suspensions ... 
Molecular search with conformational change: Onedimensional discretestate stochastic model
(2018)Molecular search phenomena are observed in a variety of chemical and biological systems. During the search, the participating particles frequently move in complex inhomogeneous environments with random transitions between ... 
Molecular theory for self assembling mixtures of patchy colloids and colloids with spherically symmetric attractions: The single patch case
(2013)In this work we develop a new theory to model self assembling mixtures of single patch colloids and colloids with spherically symmetric attractions. In the development of the theory we restrict the interactions such that ... 
Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles
(2013)We develop a new theory for associating fluids with multiple association sites. The theory accounts for small bond angle effects such as steric hindrance, ring formation, and double bonding. The theory is validated against ... 
A Monte Carlo density functional theory for the competition between inter and intramolecular association in inhomogeneous fluids
(2013)A Monte Carlo density functional theory is developed for chain molecules which both intra and intermolecularly associate. The approach can be applied over a range of chain lengths. The theory is validated for the case of ... 
A New Stabilization of Adaptive Step Trapezoid Rule Based on Finite Difference Interrupts
(2015)The adaptive step trapezoid rule (TR) is a generally effective numerical integrator, but it is prone to ringing instability and solution stall. We introduce a new stabilization algorithm based on finite difference interrupts ... 
Nitric oxide is a positive regulator of the Warburg effect in ovarian cancer cells
(2014)Ovarian cancer (OVCA) is among the most lethal gynecological cancers leading to high mortality rates among women. Increasing evidence indicate that cancer cells undergo metabolic transformation during tumorigenesis and ... 
NMR spinrotation relaxation and diffusion of methane
(2018)The translational diffusioncoefficient and the spinrotation contribution to the 1H NMR relaxation rate for methane (CH4) are investigated using MD (molecular dynamics) simulations, over a wide range of densities and ... 
Noncontact conductivity and dielectric measurement for high throughput rolltoroll nanomanufacturing
(2015)Advances in rolltoroll processing of graphene and carbon nanotubes have at last led to the continuous production of highquality coatings and filaments, ushering in a wave of applications for flexible and wearable ... 
Normal stresses in semiflexible polymer hydrogels
(2018)Biopolymer gels such as fibrin and collagen networks are known to develop tensile axial stress when subject to torsion. This negative normal stress is opposite to the classical Poynting effect observed for most elastic ... 
Novel applications of statins for bone regeneration
(2015)The use of statins for bone regeneration is a promising and growing area of research. Statins, originally developed to treat high cholesterol, are inhibitors of the enzyme 3hydroxy3methylglutaryl, the ratelimiting ... 
Numerical calculation of interaction forces between paramagnetic colloids in twodimensional systems
(2014)Typically the force between paramagnetic particles in a uniform magnetic field is described using the dipolar model, which is inaccurate when particles are in close proximity to each other. Instead, the exact force between ... 
On the evaluation of the performance of asphaltene dispersants
(2016)Asphaltene precipitation and subsequent deposition is a potential flow assurance problem for the oil industry nowadays. Moreover, because oil production is moving to more difficult production environments – e.g. deeper ... 
Optimized integration of renewable energy technologies into Alberta's oil sands industry
(2016)An energy optimization model for the integration of renewable technologies into the energy infrastructure of the oil sands industry is presented. The proposed model determines the optimal configuration of oil producers and ... 
Parallel bulk heterojunction photovoltaics based on allconjugated block copolymer additives
(2016)In recent studies, we demonstrated that the addition of block copolymers to binary donorﾖacceptor blends represents an effective approach to target equilibrium, cocontinuous morphologies of interpenetrating donors and ... 
A perturbation density functional theory for the competition between inter and intramolecular association
(2012)Using the framework of Wertheim's thermodynamic perturbation theory we develop the first density functional theory which accounts for intramolecular association in chain molecules. To test the theory new Monte Carlo ... 
Preparation of Monodomain Liquid Crystal Elastomers and Liquid Crystal Elastomer Nanocomposites
(2016)LCEs are shaperesponsive materials with fully reversible shape change and potential applications in medicine, tissue engineering, artificial muscles, and as soft robots. Here, we demonstrate the preparation of shaperesponsive ...