Fluorescent proteins based on light, oxygen, and voltage (LOV) sensing photoreceptors are among the few reporter gene technologies available for studying living systems in oxygen‐free environments that render reporters based on the green fluorescent protein nonfluorescent. LOV reporters develop fluorescence by binding flavin mononucleotide (FMN), which they endogenously obtain from cells. As FMN is

The growth of silica nanoparticles by agglomeration and viscous flow sintering is studied from free molecular to transition regime by off‐lattice event‐driven (ED) simulations. Coagulation by simultaneous agglomeration and sintering takes place at high temperature environments, where sintering and collision rates are comparable. The effect of temperature on aggregate mobility and gyration radii, particle

The use of an integrated system framework, characterized by numerous cyber/physical components (sensor measurements, signals to actuators) connected through wired/wireless networks, has not only increased the ability to control industrial systems but also the vulnerabilities to cyberattacks. State measurement cyberattacks could pose threats to process control systems since feedback control may be lost

The dry reforming of methane has received notable attention as a chemical process to convert natural gas into value‐added chemicals and fuels. Ni‐based exsolution catalysts using perovskite oxides supports have been used for their attractive sinter‐resistance and coke‐resistance properties. The perovskite oxide in itself has unique defect chemistry that can be used to manipulate and control the properties

The theory of transport phenomena in multicomponent electrolyte solutions is presented here through the integration of continuum mechanics, electromagnetism, and nonequilibrium thermodynamics. The governing equations of irreversible thermodynamics, including balance laws, Maxwell's equations, internal entropy production, and linear laws relating the thermodynamic forces and fluxes, are derived. Green–Kubo

We present an experimental study on the shear‐induced migration and axial development of particles in the channel flows of non‐Brownian suspensions. The suspending fluid is Newtonian. We investigate fracturing flows with a Hele‐Shaw type scaling through building a unique channel setup and an advanced optical system. The local particle concentration profiles are measured via the refractive‐index matching

The injection of fluids loaded with a precise number of particles, polymers, and other solutes is common in many areas of chemical engineering. By definition, injection of these fluids is meant to occur over the shortest possible duration. This raises the question that is answered in this note: At what concentration should a fluid be loaded in order to inject that fluid fastest? A similar question

Zeolites are porous aluminosilicate materials that find various applications in the chemical industry in separations, catalysis, ion exchange, and so forth. However, despite their widespread use, the reaction mechanisms occurring during zeolite growth are still unclear. Herein, we use density functional theory calculations to gain insights into the thermodynamics of oligomerization, which constitute

This white paper is the result of discussions during the FIPSE‐4 conference (http://fi-in-pse.org) in June 2018. It aims to highlight open problems and provide directions for future research in the area of water with emphasis on its agricultural usages. Some of the open problems discussed are: (a) the use of ecosystems as unit operations to understand their role in providing freshwater and in cleaning

Droplet generation in microfluidic devices has emerged as a promising approach for the design of highly controllable processes in the chemical and pharmaceutical industry. However, droplet generation is still not fully understood due to the complexity of the underlying physics. In this work, micro‐computed tomography is applied to investigate droplet formation in a circular channel in a co‐flow configuration

Solvents are widely used in chemical processes. The use of efficient model‐based solvent selection techniques is an option worth considering for rapid identification of candidates with better economic, environment and human health properties. In this paper, an optimization‐based MLAC‐CAMD framework is established for solvent design, where a novel machine learning‐based atom contribution method is developed

Development of materials with excellent separation performance remains an ongoing challenge in separation science and technology. Herein, a novel strategy was proposed to gradually enhance gas separation performance in micro/nano‐materials, by constructing a shell‐interlayer‐core structure using ionic liquid (triethylenetetramine lactate, [TETA]L) and zeolitic imidazolate framework (ZIF‐8). Such structure

Determining the structure of the (oligomeric) intermediates that form during the self‐assembly of amyloidogenic peptides is challenging because of their heterogeneous and dynamic nature. Thus, there is need for methodology to analyze the underlying molecular structure of these transient species. In this work, a combination of fluorescence quenching, photo‐induced crosslinking (PIC) and molecular dynamics

Zwitterionic materials have attracted increasing attentions in the underwater super‐oleophobic applications for its strong hydration via electrostatic interactions. Herein, molecular dynamics simulations were used to investigate the hydration and underwater oleophobicity of sulfobetaine‐terminated self‐assembled monolayers (SB‐SAMs) with different carbon spacer lengths (CSL) between oppositely charged

A transport model is proposed for wax deposition onto a cold finger from flowing wax‐containing oils. The model solves transient energy and mass balances simultaneously for a reversible first‐order kinetic rate for precipitation of pseudo‐single‐component wax, and the effects of yield stress using a critical solid wax concentration to withstand flow‐induced stress at the deposit‐fluid interface. The

The diffusion of non‐spherical particles has not been well understood due to the complexity of their contact mechanics and self‐organization of their orientations. We perform discrete element method simulations of monodisperse ellipsoids in a shear flow with Lees‐Edwards boundary conditions to quantify the relation between the diffusion coefficient and the flow parameters. The results indicate that

The 2015 Grenville‐Mak‐Brown (GMB) correlation for predicting the just suspended condition assumes that the length scale of the suspending eddy is equivalent to the particle diameter. This article investigates the role of the time scale of the relevant eddies with respect to the particle response time. The local turbulence just above the tank bottom is gauged by means of single‐phase LESs at the just

Detection of liquid‐liquid interface is critical in solvent extraction equipment/contactors typically used in petroleum and hydrometallurgical industries. An instrumentation system, comprising of self‐calibrating ultrasonic sensor and novel signal processing algorithm is reported. It can be used to estimate location of liquid‐liquid interface along with speed of sound in both the liquids without any

Capturing cause and effect relationships has diverse applications in industrial systems; however, it is a challenging task due to complicated dynamics as well as the presence of a large number of variables in industrial plants. This paper, presents a causality detection method based on distance correlation. The proposed method utilizes distance correlation to capture cause‐effect relationships. Moreover

AIChE Journal 2016, 62, 975–983. DOI: 10.1002/aic.15178 The authors regret that the inset in Figure 6a in the published article was incorrect, and it was replaced by a new image. The corrected Figure 6a is shown below. The other experiments in this paper were not affected by this issue. In addition, the data analysis and conclusions in this paper are not affected by this unintentional error. FIGURE

A comprehensive kinetic Monte Carlo (kMC) model of a reaction–diffusion system has been developed to illustrate the heterogeneous reaction of electrochemically mediated atom transfer radical polymerization (eATRP). The equilibrium coefficient for the initiator obtained from the Genetic Algorithm was lower than that for polymeric species, explaining the low initiation efficiency of the iron‐based eATRP

Natural deep eutectic systems (NADES) are emerging as potential cryoprotective agents (CPA) for cell preservation. In this investigation, we develop an optimized CPA formulation using trehalose‐glycerol NADES (T:G) diluted in Normosol‐R and supplemented with isoleucine. Differential scanning calorimetry (DSC) is used to define the thermophysical properties of NADES‐based solutions, and Raman spectroscopy

Microvolume blood collection technologies are of intense interest in healthcare. Whereas dried blood spots collect all the blood components, the majority of clinical tests are performed on the noncellular, plasma component of blood. Thus, there is a critical need for a robust plasma‐collecting device, which can stabilize biomarkers of interest for clinical analysis. A dried plasma spot, which consists

The development of advanced closed‐loop irrigation systems requires accurate soil moisture information. In this work, we address the problem of soil moisture estimation for the agro‐hydrological systems in a robust and reliable manner. A nonlinear state‐space model is established based on the discretization of the Richards equation to describe the dynamics of the agro‐hydrological systems. We consider

The transport behavior of CO2 at the ionic liquids (ILs)‐electrode interface was revealed from the thermodynamic view via molecular dynamics simulations. The hopping and self‐diffusive mechanisms were identified in the interfacial and bulk region, and thereafter a hopping‐diffusion model was developed to evaluate the transport resistance of CO2 from bulk to the interface. Meanwhile, the vibrational

We report virial coefficients up to sixth order in density for N2, O2, NH3, and CO2, covering temperatures from 50 to 1,000 K. The reported values include coefficients and their first three temperature derivatives, for the pure species as well as all of those needed to evaluate full composition dependence of mixtures formed from any or all of these compounds. The values are obtained by calculation

Identification of feasible region of operations in multivariate processes is a problem of interest in several fields. This is particularly challenging when the process model is black‐box in nature and/or is computationally expensive, as analytical solutions are not available and the number of possible model evaluations is limited. An efficient methodology is required to identify samples where the model

Membranes with asymmetric wettability‐Janus membranes‐have recently received considerable attention for a variety of critical applications. Here, we report on a simple approach to introduce asymmetric wettability into hydrophilic porous domains. Our approach is based on the physicochemical‐selective deposition of polytetrafluoroethylene (PTFE) on hydrophilic polymeric substrates. To achieve selective

Current research concerning industrial demand side management primarily focuses on monetary aspects. Herein, we extend this perspective by assessing whether economically driven measures increasing the flexibility also result in reduced contributions to the residual load. For this purpose, we conduct a simulative study using historic and projected time series for the German electricity sector. First

Sequential model‐based design of experiments (MBDoE) uses information from previous experiments to select new experimental conditions. Computation of MBDoE objective functions can be impossible due to a noninvertible Fisher information matrix (FIM). Previously, we evaluated a leave‐out (LO) approach that designed experiments by removing problematic model parameters from the design process. Unfortunately

This work explores the design of distributed model predictive control (DMPC) systems for nonlinear processes using machine learning models to predict nonlinear dynamic behavior. Specifically, sequential and iterative DMPC systems are designed and analyzed with respect to closed‐loop stability and performance properties. Extensive open‐loop data within a desired operating region are used to develop

Experiments were performed at both normal and rather extreme Fischer–Tropsch Synthesis (FTS) operating conditions over a typical cobalt‐based catalyst, with the aim of exploring if aspects of the reaction mechanism could be elucidated. The results show that CO reacted when co‐feeding C2H4 with syngas, while CO did not react with H2 in absence of C2H4, under extremely low‐temperature conditions (140°C)

In this study, cleaner production of N‐methylglycine (NMG), N,N‐dimethylglycine (DMG), and N,N,N‐trimethylglycine (TMG) with similar structures but different methylate groups was performed using bipolar membrane electrodialysis (BMED). The effects of the feed mass concentration and current density on the separation performance were intensively analysed in terms of the molecular size, molecular structure

The controlling filler aggregation and strengthening interfacial interaction are of great scientific significance for mixed matrix membranes (MMMs). In this study, the polymer‐embedded metal‐organic framework (pMOF) microspheres (MSs) are designed by one‐pot synthesis and employed as microfillers for improving separation performance of MMMs. Through adding polymer during solvothermal crystallization

In amine‐based CO2 capture processes, aqueous amine solvent is circulated between absorber (CO2 absorption) and stripping (solvent regeneration) columns. To reduce solvent regeneration energy demand, a selective membrane can dewater and enrich the CO2 concentration in solution prior to the stripper, lowering steam requirements for solution heating. In this work, a facile synthesis strategy was developed

The bioreactor flow environment has a significant impact on process performance, especially in stem cell cultures. The work of Correia et al found intermittent agitation modes to improve induced pluripotent stem cell (iPSC)‐cardiomyocyte differentiation yields; however, to date, the impact within the flow has not been fully characterized. This work aims to characterize the flow dynamics occurring within

In this work, an unsteady‐state strategy for rapid measurement of gas diffusivity in liquid is proposed, which has a quick perturbation of the liquid flow rate in inner tube for obtaining the change of gas flow rate across the membrane with time. The strategy has taken full advantages of the tube‐in‐tube reactor that possesses a high permeability Teflon AF‐2400 membrane to accelerate the diffusion

A self‐wiping co‐rotating twin‐screw extruder (TSE) is operated in a starved state in which the screws are partially filled with resin. Understanding the resin distribution on the screw surface of a TSE in this state is essential for the design, operation, and maintenance of the twin‐screw extrusion process. Accordingly, in this study, the circumferential and axial distribution of resin in a TSE were

The flow of dispersed microbubbles was studied with an Eulerian–Lagrangian technique using large eddy simulation to predict the continuous liquid flow and Lagrangian tracking to compute bubble trajectories. The model fully accounts for bubble coalescence and breakup and was applied to horizontal and vertical channel flows. With low levels of turbulence, gravity in horizontal, and lift in vertical,

This article addresses design modification to a flat‐blade static mixer to enhance mixing performance. The static mixer elements used in this work consist of four blades with curvature made to intensify turbulent‐like flow, while reducing the pressure drop. The blades were mounted on a cylindrical housing with 45° rotation relative to the axial direction. The mixer assembly was used in three different

Gas dispersion in non‐Newtonian fluids is a challenging task due to the formation of large cavities behind the impeller blades, which leads to the generation of very large bubbles. In this study, the effects of impeller speed, impeller type, pumping direction, and CMC concentration on the local and overall gas holdup inside a coaxial mixing tank comprised of two central impellers and an anchor were

In this study, various calorimetric and analytical techniques were used to evaluate the thermodynamics of the preparation of adipic acid through the oxidation with hydrogen peroxide. The reaction exotherm was combined with the reaction mechanism. Differential scanning calorimetry revealed that the hydrogen peroxide was relatively stable when Na2WO4.2H2O and H2SO4 were used as cocatalysts. Reaction

Li metal anode is the “Holy Grail” material of advanced Lithium‐ion‐batteries (LIBs). However, it is plagued by uncontrollable dendrite growth resulting in poor cycling efficiency and short‐circuiting of batteries. This has spurred a plethora of research to understand the underlying mechanism of dendrite formation. While experimental studies suggest that there are complex physical and chemical interactions

In this study, a Schulze ring shear tester and the discrete element method (DEM) are employed to investigate the effect of polydispersity on the binary shear flows. Both experimental results and DEM simulations show that the preshear stresses are greater for binary blends than for monodispersed particles. The flowability of these mixtures is strongly affected by the solid fraction, with minimal flow

Optimization modeling tools are essential to determine optimal design specifications and operation conditions of polymerization processes, especially when quality indices based on molecular weight distributions (MWDs) must be enforced. This study proposes a generalized MWD‐based optimization strategy using orthogonal collocation in two dimensions, which can capture the dynamic features of MWDs accurately

The controllable mass transfer and reaction rate for phase transfer hydrogenation of acetophenone across a well‐defined boundary were investigated. The effect of solvent was found important and 1‐butanol exhibited the best performance among the five investigated homologous alcohol solvents, consistent with its higher solubility in water and greater dielectric constant. Initial reaction rates increased

Adsorption separation of olefin and paraffin can greatly lower the energy consumption associated with the currently utilized distillation technique but remains a great challenge. Herein, we report the efficient separation of propylene (C3H6) and propane (C3H8) in a phosphate anion‐functionalized metal–organic framework (MOF) ZnAtzPO4 by synergetic effect of equilibrium and kinetics. The material features

Derivations of the Jarzynski equality (JE) appear to be quite general, and applicable to any particle system, whether deterministic or stochastic, under equally general perturbations of an initial equilibrium state at given temperature T. At the same time, the definitions of the quantities appearing in the JE, in particular the work, have been questioned. Answers have been given, but a deeper understanding

The step‐emulsification devices with parallel microchannels are promising for the high‐throughput formation of bubbles. However, the mechanism for bubble formation in such devices remains unclear. In present study, the mesoscale concept of compromise in a competition is used to reveal the mechanism. Nitrogen is used as the dispersed phase, and aqueous solutions with different viscosities are used as

By tracking the transfer of vanadium and nickel in pyrolysis products, a seven‐lump reaction kinetic model for pyrolysis‐based demetallization of heavy oil was established. During pyrolysis, the demetallization of heavy oil is achieved by condensing metal‐rich resins and asphaltenes to coke. The condensation of oil components originally contained in heavy oil differs greatly in reaction behavior, having

Most cell penetrating peptides (CPPs) are unstructured and susceptible to proteolytic degradation. One alternative is to incorporate D‐chirality amino acids into unstructured CPPs to allow for enhanced uptake and intracellular stability. This work investigates CPP internalization using a series of time, concentration, temperature, and energy dependent studies, resulting in a three‐fold increase in

Gibbs free energy minimization is employed to carry out thermodynamic equilibrium analysis studies of mixtures containing methane, carbon monoxide, carbon dioxide, water, and hydrogen ideal gases, and possibly solid carbon. The employed global minimization approach represents a general, unifying, conceptual framework that allows reaction and phase equilibrium analysis to be simultaneously carried out

The relationship between reaction and diffusion during ultrafine NiO reduction by H2 in a fluidized bed reactor were investigated. The result illuminates that the reduction reaction proceeding in the unreduced NiO powders is according to the nucleation model. A modified force balance model between cohesive and collision forces incorporating grain‐boundary diffusion and reaction is proposed to predict

Modeling and analysis of the materials universe is an emerging area of research with many important applications in materials science. The main goal is to create a map of materials which allows not only to visualize and navigate the materials space, but also reveal complex relationships and “connections” among materials and potentially find clusters of materials with similar properties. In this paper

In the pharmaceutical industry, the goal of a supply planner is to make efficient capacity allocation decisions that ensure an uninterrupted supply of drug products to patients and to maintain product inventory levels close to the target stock. This task can be challenging due to the limited availability of manufacturing assets, uncertainties in product demand, fluctuations in production yields, and

In this study, the thickness and wax content of wax deposits were found to be thinner and lower in the polyethylene (PE) pipe than in the stainless steel (SS) pipe using a flow loop apparatus. The diffusivity of wax, radial thermal gradient, and wax precipitation rate in the PE and SS pipes were calculated and compared. It was found the diffusivity of wax in the PE pipe was higher and tended to enhance

Diverse engineering fields require flash calculations like isothermal flash, isenthalpic flash, and isentropic flash. They can be cast as minimization of a thermodynamic state function and solved by Michelsen's Q‐function approach. Flash calculations for open systems, that is, systems where chemical potentials are specified instead of the mole numbers for some components, also belong to this scope