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1.
Multivariate curve resolution methods, frequently used in analyzing bilinear data sets, result in ambiguous decomposition in general. Implementing the adequate constraints may lead to reduce the so-called rotational ambiguity drastically, and in the most favorable cases to the unique solution. However, in some special cases, non-negativity constraint as minimal information of the system is a sufficient condition to resolve profiles uniquely. Although, several studies on exploring the uniqueness of the bilinear non-negatively constrained multivariate curve resolution methods have been made in the literature, it has still remained a mysterious question. In 1995, Manne published his profile-based theorems giving the necessary and sufficient conditions of the unique resolution. In this study, a new term, i.e., data-based uniqueness is defined and investigated in details, and a general procedure is suggested for detection of uniquely recovered profile(s) on the basis of data set structure in the abstract space. Close inspection of Borgen plots of these data sets leads to realize the comprehensive information of local rank, and these argumentations furnish a basis for data-based uniqueness theorem. The reported phenomenon and its exploration is a new stage (it can be said fundament) in understanding and describing the bilinear (matrix-type) chemical data in general. 相似文献
2.
Physical aging in amorphous poly(ethylene furanoate): Enthalpic recovery,density, and oxygen transport considerations 下载免费PDF全文
Steven K. Burgess Christopher R. Mubarak Robert M. Kriegel William J. Koros 《Journal of Polymer Science.Polymer Physics》2015,53(6):389-399
The current work utilizes three separate techniques to study the physical aging process in amorphous poly(ethylene furanoate) (PEF), which is a recently introduced engineering thermoplastic with enhanced properties compared to petroleum‐sourced poly(ethylene terephthalate). Differential scanning calorimetry aging experiments were conducted at multiple aging temperatures and times, and the resultant enthalpic recovery values compared to the theoretical maximum enthalpy loss evaluated from calculations involving extrapolation of the equilibrium liquid line. Density measurements reveal densification of the matrix for the aged versus unaged samples, and provide an estimate for the reduction in free volume for the aged samples. Complementary oxygen permeation and pressure‐decay sorption experiments provide independent verification of the free volume reduction mechanism for physical aging in glassy polymers. The current work provides the first detailed aging study for PEF. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 389–399 相似文献
3.
Methylcyanide, CH3CN, is an important interstellar species, and therefore the accurate knowledge of precise rest frequencies for rotational transitions as well as ground-state rotational and hyperfine constants is needed. In this work the hyperfine structure of the millimeter- and submillimeter-wave spectra of CH3CN has been further investigated. In addition, accurate THz measurements have been carried out for the first time. Consequently, the present investigation allowed us to provide the most accurate ground state rotational and hyperfine parameters known at the moment for CH3C14N. To resolve the hyperfine structure of the rotational transitions observed, the Lamb-dip technique has been exploited. Both frequency-modulated and video-type detections have been employed. 相似文献
4.
A. B. Mazo 《Fluid Dynamics》2002,37(6):913-918
Plane ideal incompressible flow in a rectangular channel partitioned by a thin permeable barrier (lattice) is considered. In flowing through the lattice the stream suddenly (jumpwise) changes direction and loses energy. The flow is assumed to be vortical; the vorticity is discontinuous on the lattice. A mathematical formulation of the problem for the stream function is proposed in the form of a nonlinear elliptic equation with coefficients discontinuous on the lattice line. A numerical solution is constructed using the finite-element iteration method. The results of the numerical simulation show how the flow velocity profile in the channel can be controlled by means of permeable barriers. 相似文献
5.
6.
The ultraviolet band systemsA
1Π-X
1Σ+ of P14N and P15N were excited in an electrodeless tube containing traces of phosphorus specpure nitrogen and neon using a microwave discharge
(2450 MHz). Bands of the isotopic species, P15N, were obtained using15N2 enriched to 95.5%. Rotational analyses of eleven bands of P14N and sixteen bands of P15N were carried out. Three perturbing statese
3Σ−,d
3Δ andb
3Π, arising from the lower valence configurations were identified from the observed perturbations in thev′=0–4 levels of theA
1Π state. Deperturbation studies led to the determination of molecular constants of the perturbing states. Vibrational assignments
of the perturbing states were made from isotope shift studies. 相似文献
7.
Richard Kotek Kyeong Pang Ben Schmidt Alan Tonelli 《Journal of Polymer Science.Polymer Physics》2004,42(23):4247-4254
Poly(ethylene isophthalate) (PEI) was synthesized for this research with essentially a condensation polymerization of isophthalic acid and ethylene glycol catalyzed by zinc acetate and antimony trioxide. Several samples were obtained, and their characteristics were observed and compared with poly(ethylene terephthalate) (PET). The synthesized PEI samples were chemically identified by 1H NMR. Thermal analysis with differential scanning calorimetry (DSC) yielded results that indicate the samples were primarily amorphous, with a glass‐transition temperature of 55–60 °C. Molecular weights of these PEI samples were also obtained through intrinsic viscosity measurements (Mark–Houwink equation). Molecular weights varied with conditions of the polymerization, and the highest molecular weight achieved was 21,000 g/mol. Finally, the diffusion coefficient, solubility, and permeability of CO2 gas in PEI were measured and found to be substantially lower than in PET, as anticipated from their isomeric chemical structures. This is because in PET the phenyl rings are substituted in the para (1,4) positions, which allows for their facile flipping, effectively permitting gases to pass through. However, the meta‐substituted phenyl rings in PEI do not permit such ring flipping, and thus PEI may be more suitable for barrier applications. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 4247–4254, 2004 相似文献
8.
Bakul C. Dave Xiankui Hu Yogeeswari Devaraj Shirshak K. Dhali 《Journal of Sol-Gel Science and Technology》2004,32(1-3):143-147
There is a current need for alternative coatings that can provide corrosion resistance to metals or alloy surfaces due to the environmental hazards posed by conventional coatings. Herein, we report on novel organically-modified sol–gel coatings for the protection of metal and alloy surfaces. The basic concept of chemical conversion of metal surfaces is based on deposition of a hydrophobic, nonporous sol–gel barrier layer for surface protection and corrosion prevention. The properties of these organosilica coatings can be tuned by varying the composition of precursors. The evaluation of hydrophobicity, adhesive strength, and anticorrosion properties of organically-modified sol–gel derived coatings suggests their potential utility as technologically-compatible alternatives to conventional coatings. 相似文献
9.
In this paper, we prove convergence rates for spherical spline Hermite interpolation on the sphere Sd−1 via an error estimate given in a technical report by Luo and Levesley. The functionals in the Hermite interpolation are either point evaluations of pseudodifferential operators or rotational differential operators, the desirable feature of these operators being that they map polynomials to polynomials. Convergence rates for certain derivatives are given in terms of maximum point separation. 相似文献
10.
Kurt M. Anstreicher 《Mathematical Programming》1997,76(1):245-263
We consider the construction of small step path following algorithms using volumetric, and mixed volumetric-logarithmic, barriers.
We establish quadratic convergence of a volumetric centering measure using pure Newton steps, enabling us to use relatively
standard proof techniques for several subsequently needed results. Using a mixed volumetric-logarithmic barrier we obtain
an O(n
1/4
m
1/4
L) iteration algorithm for linear programs withn variables andm inequality constraints, providing an alternative derivation for results first obtained by Vaidya and Atkinson. In addition,
we show that the same iteration complexity can be attained while holding the work per iteration to O(n
2
m), as opposed to O(nm
2), operations, by avoiding use of the true Hessian of the volumetric barrier. Our analysis also provides a simplified proof
of self-concordancy of the volumetric and mixed volumetric-logarithmic barriers, originally due to Nesterov and Nemirovskii.
This paper was first presented at the 1994 Faculty Research Seminar “Optimization in Theory and Practice”, at the University
of Iowa Center for Advanced Studies. 相似文献