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A systematic method to synthesize all dividing wall columns for n -component separation-Part I
Not provided.
Quantum Calculations on Plant Cell Wall Component Interactions
In this paper, density functional theory calculations were performed to assess the relative interaction energies of plant cell wall components: cellulose, xylan, lignin and pectin. Monomeric and tetramer linear molecules were allowed to interact in four different configurations for each pair of compounds. The M0 5 -2X exchange-correlation functional which implicitly accounts for short- and mid-range dispersion was compared against MP2 and RI-MP2 to assess the reliability of the former for modeling van der Waals forces between these PCW components. Solvation effects were examined by modeling the interactions in the gas phase, in explicit H 2 O, and in polarized continuum models (PCM) of solvation. PCMs were used to represent water, methanol, and chloroform. The results predict the relative ranges of each type of interaction and when specific configurations will be strongly preferred. Finally, structures and energies are useful as a basis for testing classical force fields and as guidance for coarse-grained models of PCWs.
Re-constructing our models of cellulose and primary cell wall assembly
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Numerical Simulation of Vibrational Sum Frequency Generation Intensity for Non-Centrosymmetric Domains Interspersed in an Amorphous Matrix: A Case Study for Cellulose in Plant Cell Wall
Vibrational sum frequency generation (SFG) spectroscopy can specifically probe molecular species non-centrosymmetrically arranged in a centrosymmetric or isotropic medium. This capability has been extensively utilized to detect and study molecular species present at the two-dimensional (2D) interface at which the centrosymmetry or isotropy of bulk phases is naturally broken. The same principle has been demonstrated to be very effective for the selective detection of non-centrosymmetric crystalline nanodomains interspersed in three-dimensional (3D) amorphous phases. However, the full spectral interpretation of SFG features has been difficult due to the complexity associated with the theoretical calculation of SFG responses of such 3D systems. This paper describes a numerical method to predict the relative SFG intensities of non-centrosymmetric nanodomains in 3D systems as functions of their size and concentration as well as their assembly patterns, i.e., the distributions of tilt, azimuth, and rotation angles with respect to the lab coordinate. We applied the developed method to predict changes in the CH and OH stretch modes characteristic to crystalline cellulose microfibrils distributed with various orders, which are relevant to plant cell wall structures. As a result, the same algorithm can also be applied to any SFG-active nanodomains interspersed in 3D amorphous matrices.
Effects of Plant Cell Wall Matrix Polysaccharides on Bacterial Cellulose Structure Studied with Vibrational Sum Frequency Generation Spectroscopy and X-ray Diffraction
The crystallinity, allomorph content, and mesoscale ordering of cellulose produced by Gluconacetobacter xylinus cultured with different plant cell wall matrix polysaccharides were studied with vibrational sum frequency generation (SFG) spectroscopy and X-ray diffraction (XRD).
Quantitative Evaluation of Optical Free Carrier Generation in Semiconducting Single-Walled Carbon Nanotubes
Gauging free carrier generation (FCG) in optically excited, charge-neutral single-walled carbon nanotubes (SWNTs) has important implications for SWNT-based optoelectronics that rely upon conversion of photons to electrical current. Earlier investigations have largely provided only qualitative insights into optically triggered SWNT FCG, due to the heterogeneous nature of commonly interrogated SWNT samples and the lack of direct, unambiguous spectroscopic signatures that could be used to quantify charges. Here, employing ultrafast pump–probe spectroscopy in conjunction with chirality-enriched, length-sorted, ionic-polymer-wrapped SWNTs, we develop a straightforward approach for quantitatively evaluating the extent of optically driven FCG in SWNTs. Owing to the previously identified trion transient absorptive hallmark (Tr + 11 → Tr + nm ) and the rapid nature of trion formation dynamics (<1 ps) relative to established free-carrier decay time scales (>ns), we correlate FCG with trion formation dynamics. Experimental determination of the trion absorptive cross section further enables evaluation of the quantum yields for optically driven FCG [Φ(E nn → h + + e – )] as a function of optical excitation energy and medium dielectric strength. We show that (i) E 33 excitons give rise to dramatically enhanced Φ(E nn → h + + e – ) relative to those derived from E 22 and E 11 excitons and (ii) Φ(E 33 → h + + e – ) monotonically increases from ~5% to 18% as the solvent dielectric constant increases from ~32 to 80. Furthermore, this work highlights the extent to which the nature of the medium and excitation conditions control FCG quantum yields in SWNTs: such studies have the potential to provide new design insights for SWNT-based compositions for optoelectronic applications that include photodetectors and photovoltaics.
Single-walled carbon nanotube transparent conductive films fabricated by reductive dissolution and spray coating for organic photovoltaics
Solutions of unbundled and unbroken single-walled carbon nanotubes have been prepared using a reductive dissolution process. Transparent conductive films spray-coated from these solutions show a nearly twofold improvement in the ratio of electrical conductivity to optical absorptivity versus those deposited from conventional aqueous dispersions, due to substantial de-aggregation and sizable nanotube lengths. These transparent electrodes have been utilized to fabricate P3HT-PCBM organic solar cells achieving power conversion efficiencies up to 2.3%, comparable to those of solar cells using indium tin oxide transparent electrodes.
Numerical investigation of fast-wave propagation and radio-frequency sheath interaction with a shaped tokamak wall
Interactions between propagating fast waves and radio-frequency (RF) sheaths in the ion cyclotron range of frequencies are numerically investigated based on a cold fluid plasma model coupled with a sheath boundary condition. In this two-dimensional study, the capability of the finite element code rfSOL, which was developed in previous numerical work, is extended to analyze self-consistent RF sheath-plasma interaction problems in a tokamak with a non-circular cross-section. It is found that a large sheath voltage is generated near the edges of the limiter-shaped deformation as a result of the conversion from fast to slow waves on the sheaths. The sheath voltage associated with this conversion is particularly significant in the localized region where the contact angle between the magnetic field line and the conducting wall varies rapidly along the curved sheath surface, which is consistent with the results in previous one-dimensional theoretical work. The dependences of the RF sheaths on various parameters in plasma such as the toroidal wavenumber, edge plasma density, and the degree of the RF wave absorption in the core region are also examined in detail.
Separatrix-to-Wall Simulations of Impurity Transport with a Fully Three-Dimensional Wall in DIII-D
A novel multi-code workflow to interpret collector probe deposition patterns in DIII-D has been developed. The components of the workflow consist of a detailed computer-aided design (CAD) file of the vessel wall and the scrape-off layer (SOL) codes MAFOT, OSM, DIVIMP and 3DLIM. A special-purpose toolkit enables passing the output of these codes between each other to provide a full-SOL picture of impurity transport. A demonstration of the workflow is described to support evidence of near-SOL tungsten parallel accumulation during trace W impurity experiments on DIII-D. Iteration between simulated deposition patterns in 3DLIM and DIVIMP predicts a region of elevated W density near the separatrix about halfway between the outboard midplane and the top of the plasma. Furthermore, this workflow will be used to better interpret collector probe experiments on DIII-D.
Formation of helical domain walls in the fractional quantum Hall regime as a step toward realization of high-order non-Abelian excitations
We propose an experimentally feasible platform to realize parafermions (high-order non-Abelian excitations) based on spin transitions in the fractional quantum Hall effect regime. As a proof of concept we demonstrate a local control of the spin transition at a filling factor 2/3 and formation of a conducting fractional helical domain wall (fhDW) along a gate boundary. Coupled to an 𝑠-wave superconductor these fhDWs are expected to support parafermionic excitations. Here, we present exact diagonalization numerical studies of fhDWs and show that they indeed possess electronic and magnetic structures needed for the formation of parafermions. A reconfigurable network of fhDWs will allow manipulation and braiding of parafermionic excitations in multigate devices.
Thickness;#8208;dependent domain wall reorientation in 70/30 lead magnesium niobate;#8208; lead titanate thin films
Abstract not provided
FORCED CONVECTION IN A CHANNEL WITH WALL HEAT CAPACITY AND WITH WALL HEATING VARIABLE WITH AXIAL POSITION AND TIME
Forced convective heat transfer to a fluid between two parallel plates having a wall heat flux as a function of axial position and time
Wall motion by reverse neel walls in thin films.
Normal and reverse neel wall motion in thin films
Wall contraction in Bloch wall films
The phenomenon of wall contraction characterized by a peak in the velocity field relationship and a region of negative differential mobility is observed. Uniaxial magnetic thin films of various compositions and magnetic properties are studied in careful interrupted pulse experiments. The observed results agree quite well with the theory for bulk samples.
Derivation of jack movement influence coefficients as a basis for selecting wall contours giving reduced levels of interference in flexible walled test sections
This report covers work done in a transonic wind tunnel towards providing data on the influence of the movement of wall-control jacks on the Mach number perturbations along the test section. The data is derived using an existing streamline-curvature program, and in application is reduced to matrices of influence coefficients.
Wall-interference assessment in three-dimensional slotted-wall wind tunnels
The development of the slotted tunnel simulator code and lessons learned from its use are summarized. The high order panel method was selected as the basic procedure for aerodynamic computations. The panel singularities are supplemented by line sources to represent discrete wall slots.