Electric field analysis of spinneret design for needleless electrospinning of nanofibers

Concentrated electric field is crucial in generation of needleless electrospinning; the electric field profile together with electric field intensity of the spinneret directly affect the needleless electrospinning performance. Understanding the electric field of different spinnerets would definitely benefit the design and optimization of needleless electrospinning. Three-dimensional (3D) finite element analysis has been used to analyze the electric field profile and electric field intensity of different spinnerets for needleless electrospinning by using the simulation software COMSOL Multiphysics 3.5a. It has been found that evolution of the spinneret of needleless electrospinning from cylinder to multiple disks and then to multiple rings results in stronger and more concentrated electric field. The analysis based on 3D simulation of the electric field could benefit further development of needleless electrospinning in which the production rate and quality of as-spun nanofibers are of great importance.

Molecular dynamics study of response of liquid N,N-dimethylformamide to externally applied electric field using a polarizable force field

The behavior of Liquid N,N-dimethylformamide subjected to a wide range of externally applied electric fields (from 0.001 V/nm to 1 V/nm) has been investigated through molecular dynamics simulation. To approach the objective the AMOEBA polarizable force field was extended to include the interaction of the external electric field with atomic partial charges and the contribution to the atomic polarization. The simulation results were evaluated with quantum mechanical calculations. The results from the present force field for the liquid at normal conditions were compared with the experimental and molecular dynamics results with non-polarizable and other polarizable force fields. The uniform external electric fields of higher than 0.01 V/nm have a significant effect on the structure of the liquid, which exhibits a variation in numerous properties, including molecular polarization, local cluster structure, rotation, alignment, energetics, and bulk thermodynamic and structural properties.

The textural properties and microstructure of konjac glucomannan - tungsten gels induced by DC electric fields

Konjac glucomannan - tungsten (KGM-T) gels were successfully prepared under DC electric fields, in the presence of sodium tungstate. The textural properties and microstructure of the gels were investigated by Texture Analyzer, Rheometer and SEM. Based on the response surface methodology (RSM) results, the optimum conditions for KGM-T gel springiness is 0.32% sodium tungstate concentration, 0.54% KGM concentration, 24.66V voltage and 12.37min treatment time. Under these conditions, the maximum springiness value of KGM-T gel is 1.21mm. Steady flow measurement indicated that KGM-T gel showed characteristic non-Newtonian pseudoplastic behaviour, with low flow behaviour indexes in the shear thinning region. SEM demonstrated the porosity of the freeze-dried samples. These findings may pave the way to use DC electric fields for the design and development of KGM gels and to apply KGM gels for practical applications.

Optimal sensor placement and measurement of wind for water quality studies in urban reservoirs

We collaborate with environmental scientists to study the hydrodynamics and water quality in an urban district, where the surface wind distribution is an essential input but undergoes high spatial and temporal variations due to the complex urban landform created by surrounding buildings. In this work, we study an optimal sensor placement scheme to measure the wind distribution over a large urban reservoir with a limited number of wind sensors. Unlike existing sensor placement solutions that assume Gaussian process of target phenomena, this study measures the wind which inherently exhibits strong non-Gaussian yearly distribution. By leveraging the local monsoon characteristics of wind, we segment a year into different monsoon seasons which follow a unique distribution respectively. We also use computational fluid dynamics to learn the spatial correlation of wind in the presence of surrounding buildings. The output of sensor placement is a set of the most informative locations to deploy the wind sensors, based on the readings of which we can accurately predict the wind over the entire reservoir surface in real time. 10 wind sensors are finally deployed around or on the water surface of an urban reservoir. The in-field measurement results of more than 3 months suggest that the proposed sensor placement and spatial prediction approach provides accurate wind measurement which outperforms the state-of-the-art Gaussian model based or interpolation based approaches.

Sensor placement and measurement of wind for water quality studies in urban reservoirs

We study the water quality in an urban district, where the surface wind distribution is an essential input but undergoes high spatial and temporal variations due to the impact of surrounding buildings. In this work, we develop an optimal sensor placement scheme to measure the wind distribution over a large urban reservoir using a limited number of wind sensors. Unlike existing solutions that assume Gaussian process of target phenomena, this study measures the wind that inherently exhibits strong non-Gaussian yearly distribution. By leveraging the local monsoon characteristics of wind, we segment a year into different monsoon seasons that follow a unique distribution respectively. We also use computational fluid dynamics to learn the spatial correlation of wind. The output of sensor placement is a set of the most informative locations to deploy the wind sensors, based on the readings of which we can accurately predict the wind over the entire reservoir in real time. Ten wind sensors are deployed. The in-field measurement results of more than 3 months suggest that the proposed sensor placement and spatial prediction scheme provides accurate wind measurement that outperforms the state-of-the-art Gaussian model based on interpolation-based approaches.

Ultra-wideline 14N solid-state NMR as a method for differentiating polymorphs: glycine as a case study

Nitrogen-14 solid-state NMR (SSNMR) is utilized to differentiate three polymorphic forms and a hydrochloride (HCl) salt of the amino acid glycine. Frequency-swept Wideband, Uniform Rate, Smooth Truncated (WURST) pulses were used in conjunction with Carr-Purcell Meiboom-Gill refocusing, in the form of the WURST-CPMG pulse sequence, for all spectral acquisitions. The ¹⁴N quadrupolar interaction is shown to be very sensitive to variations in the local electric field gradients (EFGs) about the ¹⁴N nucleus; hence, differentiation of the samples is accomplished through determination of the quadrupolar parameters CQ and ηQ, which are obtained from analytical simulations of the ¹⁴N SSNMR powder patterns of stationary samples (i.e., static NMR spectra). Additionally, differentiation of the polymorphs is also possible via the measurement of ¹⁴N effective transverse relaxation time constants, T^eff2(¹⁴N). Plane-wave density functional theory (DFT) calculations, which exploit the periodicity of crystal lattices, are utilized to confirm the experimentally determined quadrupolar parameters as well as to determine the orientation of the ¹⁴N EFG tensors in the molecular frames. Several signal-enhancement techniques are also discussed to help improve the sensitivity of the ¹⁴N SSNMR acquisition method, including the use of selective deuteration, the application of the BRoadband Adiabatic INversion Cross-Polarization (BRAIN-CP) technique, and the use of variable-temperature (VT) experiments. Finally, we examine several cases where ¹⁴N VT experiments employing Carr-Purcell-Meiboom-Gill (CPMG) refocusing are used to approximate the rotational energy barriers for RNH3⁺ groups.

Epoxy nanocomposites with aligned carbon nanofillers by external electric fields

This paper presents systematic studies on aligning carbon nanofillers in epoxy by external fields, either electric fields or magnetic fields, to create nanocomposites with greatly improved mechanical and electrical properties. Carbon nanofibers (CNFs) and graphene nanoplatelets (GnPs) were observed to align along the field direction in the epoxy resin. Compared to the unmodifed epoxy and those with randomly-oriented carbon nanofillers, the nanocomposites with aligned carbon nanofillers showed significantly higher fracture toughness and electrical conductivity along the direction of the external field. Compared with randomly-oriented nanofillers, aligned GnPs and CNFs produced 40% and 27% improvement in fracture energy at 1.0 wt%, bringing the total increase in fracture energy over the neat polymer to more than 10 times. Several key toughening mechanisms were identified through fractographic analysis, which was used to develop predictive models to quantify the increases in the value of GIc as a result of 1-D and 2D carbon nanofillers. The present findings suggest that aligning carbon nanofillers presents a very promising technique to create multi-scale reinforcement with greatly increased electric conductivity and fracture toughness.