Cure processing modeling and cure cycle simulation of epoxy-terminated poly(phenylene ether ketone) .4. Cure cycle simulation

Epoxy-terminated poly(phenylene ether ketone) (E-PEK) developed in this Institute is a candidate matrix resin for polymer composites as structural materials. Cure cycles for this reaction system were simulated according to the previously established processing model. It is found that for the E-PEK system, the curing process is best completed by a stepwise cure cycle comprising two isothermal processes at different temperatures, T-1 and T-2. The cure cycles over a wide range of processing parameters simulated, based on the established processing model, indicate that the processing window is width-adjustable. Analysis of the mechanical properties of the composite sheets showed that the simulated cure cycles are acceptable and reliable. (C) 1997 John Wiley & Sons, Inc.

Cure processing modeling and cure cycle simulation of epoxy-terminated poly(phenylene ether ketone) .1. DSC characterization of curing reaction

The curing reaction process of epoxy-terminated poly(phenylene ether ketone) (E-PEK) with 4,4'-diaminodiphenyl sulfone (DDS) and hexahydrophthalic acid anhydride (Nadic) as curing agents was investigated using isothermal differential scanning calorimetry (IDSC) and nonisothermal differential scanning calorimetry (DDSC) techniques. It was found that the curing reactions of E-PEK/DDS and E-PEK/Nadic are nth-order reactions but not autoaccelerating. The experimental results revealed that the curing reaction kinetics parameters measured from IDSC and DDSC are not equivalent. This means that, in the curing reaction kinetics model for our E-PEK system, both isothermal and nonisothermal reaction kinetics parameters are needed to describe isothermal and nonisothermal curing processes, The isothermal and nonisothermal curing processes were successfully simulated using this model. A new extrapolation method was suggested. On the basis of this method the maximum extent of the curing reaction (A(ult)) that is able to reach a certain temperature can be predicted. The A(ult) for the E-PEK system estimated by the new method agrees well with the results obtained from another procedure reported in the literature. (C) 1997 John Wiley & Sons, Inc.

Cure processing modeling and cure cycle simulation of epoxy-terminated poly(phenylene ether ketone) .2. Chemorheological modeling

Chemorheology and corresponding models for an epoxy-terminated poly(phenylene ether ketone) (E-PEK) and 4,4'-diaminodiphenyl sulfone (DDS) system were investigated using a differential scanning calorimeter (DSC) and a cone-and-plate rheometer. For this system, the reported four-parameter chemorheological model and modified WLF chemorheological model can only be used in an isothermal or nonisothermal process, respectively. In order to predict the resin viscosity variation during a stepwise temperature cure cycle actually used, a new model based on the combination of the four-parameter model and the modified WLF model was developed. The combined model can predict the resin viscosity variation during a stepwise temperature cure cycle more accurately than the above two models. In order to simplify the establishment of this model, a new five-parameter chemorheological model was then developed. The parameters in this five-parameter model can be determined through very few rheology and DSC experiments. This model is practicable to describe the resin viscosity variation for isothermal, nonisothermal, or stepwise temperature cure cycles accurately. The five-parameter chemorheological model has also successfully been used in the E-PEK systems with two other curing agents, i.e., the diamine curing agent with the addition of a boron trifluride monoethylamine (BF3-MEA) accelerator and an anhydride curing agent (hexahydrophthalic acid anhydride). (C) 1997 John Wiley & Sons, Inc.

Physical modeling of localized scour for the Yangtze Estuary Waterway Improvement Project, Phase I

In order to examine the effectiveness of engineering protection against localized scour in front of the south groin-group of the Yangtze Estuary Waterway Improvement Project, Phase I, an undistorted physical model on a geometric scale of 1:250 is built in this study, covering two groins and their adacent estuarine areas. By use of rinsing fix-bed model as well as localized mobile-bed model the experiment is undertaken under bi-directional steady flow. According to the experimental results, waterway dredging leads to the increase in steram velocity, the increase being larger during the ebb than during the flood. Construction of the upstream groin has some influence on the flow patterns near the downstream groin. Localized scour in front of the groin-heads is controlled mainly by ebb flow. In the case of a riverbed composed entirely of silt, the depths of localized scour in front of the two groin-heads are 27 m and 29 m, respectively. In reality, the underneath sediment of the prototype riverbed is clay whose threshold velocity is much higher than the stream velocity in the Yangtze Estuary; therefore, the depths of localized scour will not be much larger than the thickness of the silt layer, i. e. 7.4 m and 4.7 m, respectively. The designed aprons covering the riverbed in fron of the groin-heads are very effective in scour control. Aprons of slightly smaller size can also fulfill the task of protection, but the area of localized scour increases significantly.

Periodical mixing of MORB magmas near East Pacific Rise 13N: evidence from modeling and zoned plagioclase phenocrysts

Thirty-six basalt samples from near East Pacific Rise 13N are analyzed for major and trace elements. Different types of zoned plagioclase phenocrysts in basalts are also backscatter imaged, and major element profiles scanned and analyzed for microprobe. Basalts dredged from a restricted area have evolved to different extents (MgO=9.38wt%-6.76wt%). High MgO basalts are modeled for crystallization to MgO of about 7wt%, and resulted in the Ni contents (28 ppm) that are generally lower than that in observed basalts (> 60 ppm). It suggests that low MgO basalts may have experienced more intensive magma mixing. High MgO (9.38wt%) basalt is modeled for self-"mixing-crystallization", and the high Ni contents in low MgO basalts can be generated in small scale and periodical self-mixing of new magma (high MgO). "Mixing-crystallization" processes that low MgO magmas experienced accord with recent 226Ra/230Th disequilibria studies for magma residence time, in which low MgO magmas have experienced more circles of "mixing-crystallization" in relatively longer residence time. Magma mixing is not homogeneous in magma chamber, however, low MgO magmas are closer to stable composition produced by periodical "mixing-crystallization", which is also an important reason for magma diversity in East Pacific Rise. Zoned plagioclase phenocrysts can be divided into two types: with and without high An# cores, both of which have multiple reversed An# zones, suggesting periodical mixing of their host magmas. Cores of zoned plagioclase in low MgO (7.45wt%) basalt differ significantly with their mantle in An#, but are similar in An# with microlite cores (products of equilibrium crystallization) in high MgO (9.38wt%) basalt, which further shows that plagioclase phenocryst cores in low MgO basalts may have formed in their parental magmas before entering into the magma chamber.

Modeling vertical heat transport in the wave affected surface layer of the ocean

In considering the vertical heat transport problems in the upper ocean, the flat upper boundary approximation for the free surface and the horizontal homogenous hypothesis are usually applied. However, due to the existence of the wave motion, the application of this approximation may result in some errors to the solar irradiation since it decays quickly in respect to the actual thickness of the water layer below the surface; on the other hand, due to the fluctuation of the water layer depth, it is improper to neglect the effects of the horizontal advection and turbulent diffusion since they also contribute to the vertical heat transport. A new model is constructed in this study to reflect these effects. The corresponding numerical simulations show that the wave motion may remarkably accelerate the vertical heat transferring process and the variation of the temperature in the wave affected layer appears in an oscillating manner.

Numerical modeling of water wave interaction with a soft mud bed

A vertical 2-D numerical model is presented for simulating the interaction between water waves and a soft mud bed. Taking into account nonlinear rheology, a semi-empirical rheological model is applied to this water-mud model, reflecting the combined visco-elasto-plastic properties of soft mud under such oscillatory external forces as water waves. In order to increase the resolution of the flow in the neighborhood of both sides of the inter-surface, a logarithmic grid in the vertical direction is employed for numerical treatment. Model verifications are given through comparisons between the calculated and the measured mud mass transport velocities as well as wave height changes.

Modeling gross primary production of alpine ecosystems in the Tibetan Plateau using MODIS images and climate data

The eddy covariance technique provides measurements of net ecosystem exchange (NEE) Of CO2 between the atmosphere and terrestrial ecosystems, which is widely used to estimate ecosystem respiration and gross primary production (GPP) at a number Of CO2 eddy flux tower sites. In this paper, canopy-level maximum light use efficiency, a key parameter in the satellite-based Vegetation Photosynthesis Model (VPM), was estimated by using the observed CO2 flux data and photosynthetically active radiation (PAR) data from eddy flux tower sites in an alpine swamp ecosystem, an alpine shrub ecosystem and an alpine meadow ecosystem in Qinghai-Tibetan Plateau, China. The VPM model uses two improved vegetation indices (Enhanced Vegetation Index (EVI), Land Surface Water Index (LSWI)) derived from the Moderate Resolution Imaging Spectral radiometer (MODIS) data and climate data at the flux tower sites, and estimated the seasonal dynamics of GPP of the three alpine grassland ecosystems in Qinghai-Tibetan Plateau. The seasonal dynamics of GPP predicted by the VPM model agreed well with estimated GPP from eddy flux towers. These results demonstrated the potential of the satellite-driven VPM model for scaling-up GPP of alpine grassland ecosystems, a key component for the study of the carbon cycle at regional and global scales. (c) 2006 Elsevier Inc. All rights reserved.

Modeling trophic positions of the alpine meadow ecosystem combining stable carbon and nitrogen isotope ratios

Stable carbon and nitrogen isotope ratios of single tissues or whole bodies were analyzed to establish trophic positions of main consumers living at the alpine meadow ecosystem in the Tibetan Plateau. The results demonstrated that delta C-13 and delta N-15 values of vertebrates showed great variations and ranged from -26.83 to -22.51 parts per thousand and from 2.33 to 8.44 parts per thousand, respectively. Plateau pika, root vole, plateau hare, infants of rodents and hatchlings of passerine bird species had the lowest delta C-13 and delta N-15 values. delta C-13 and delta N-15 values of omnivorous and insectivorous birds and amphibians showed intermediate. Carnivorous species, steppe polecat and Upland buzzard, and omnivorous Robin accentor and White wagtail possessed extremely higher VC and delta N-15 values. Omnivorous birds captured in earlier year had significantly less negative delta C-13 and greater delta N-15 values than those captured later. Based on steady angular enrichment between trophic levels, an "alpha and vector model" combing delta C-13 and delta N-15 values was introduced to reveal trophic positions, the results indicated that Tibetan sheep, Tibetan yak, plateau pika, root vole, plateau hare, infants of small rodents showed the lowest trophic positions (TP 1.81-2.38). While omnivorous and insectivorous birds, their hatchlings and amphibians showed intermediate trophic positions (TP 2.06-2.89), carnivorous species steppe polecat and Upland buzzard, migrant birds possessed extremely higher trophic positions (TP 2.89-3.05). The isotopic investigation of organisms and the introduced "alpha and vector model" successfully demonstrated the same trophic positions and diet prediction of consumers as nitrogen enrichment model at the alpine meadow ecosystem. Besides of this information, the "alpha and vector model" can also be incorporated into multiple isotope signatures to infer trophic relationships. This angular enrichment model has the potential to address basic ecological questions, such as trophic structure, trophic dynamics, and energy flow in other terrestrial ecosystems of properly handled. (C) 2005 Elsevier B.V. All rights reserved.

Observation and modeling for terrestrial processes in alpine meadow

The water-heat transfer process between land and atmosphere in Haibei alpine meadow area has been systematically observed. A multi-layer coupling model for land-atmosphere interaction was presented with special attention paid to the moisture transfer in leaf stomata under unsaturated condition. A profound investigation on the physical process of turbulent transfer inside the vegetation has been performed with a revised formula of water absorption for root system. The present model facilitates the study of vertically distributed physical variables in detail. Numerical simulation was conducted according to the transfer process of Kinesia humility meadow in the area of Haibei Alpine Meadow Ecosystem Station, CAS. The calculated results agree well with observation.

A Perturbation Scheme for Spherical Arrangements with Application to Molecular Modeling

We describe a software package for computing and manipulating the subdivision of a sphere by a collection of (not necessarily great) circles and for computing the boundary surface of the union of spheres. We present problems that arise in the implementation of the software and the solutions that we have found for them. At the core of the paper is a novel perturbation scheme to overcome degeneracies and precision problems in computing spherical arrangements while using floating point arithmetic. The scheme is relatively simple, it balances between the efficiency of computation and the magnitude of the perturbation, and it performs well in practice. In one O(n) time pass through the data, it perturbs the inputs necessary to insure no potential degeneracies and then passes the perturbed inputs on to the geometric algorithm. We report and discuss experimental results. Our package is a major component in a larger package aimed to support geometric queries on molecular models; it is currently employed by chemists working in "rational drug design." The spherical subdivisions are used to construct a geometric model of a molecule where each sphere represents an atom. We also give an overview of the molecular modeling package and detail additional features and implementation issues.

Automatic Qualitative Modeling of Dynamic Physical Systems

This report describes MM, a computer program that can model a variety of mechanical and fluid systems. Given a system's structure and qualitative behavior, MM searches for models using an energy-based modeling framework. MM uses general facts about physical systems to relate behavioral and model properties. These facts enable a more focussed search for models than would be obtained by mere comparison of desired and predicted behaviors. When these facts do not apply, MM uses behavior-constrained qualitative simulation to verify candidate models efficiently. MM can also design experiments to distinguish among multiple candidate models.

Understanding and Modeling the Behavior of a Harmonic Drive Gear Transmission

In my research, I have performed an extensive experimental investigation of harmonic-drive properties such as stiffness, friction, and kinematic error. From my experimental results, I have found that these properties can be sharply non-linear and highly dependent on operating conditions. Due to the complex interaction of these poorly behaved transmission properties, dynamic response measurements showed surprisingly agitated behavior, especially around system resonance. Theoretical models developed to mimic the observed response illustrated that non-linear frictional effects cannot be ignored in any accurate harmonic-drive representation. Additionally, if behavior around system resonance must be replicated, kinematic error and transmission compliance as well as frictional dissipation from gear-tooth rubbing must all be incorporated into the model.

Modeling of protein adsorption in membrane affinity chromatography

For the design of affinity membranes, protein adsorption in membrane affinity chromatography (MAC) was studied by frontal analysis. According to fast mass transfer, small thickness of affinity membranes and high affinity between the protein and the ligand, an ideal adsorption (IA) model was proposed for MAC and was used together with equilibrium-dispersive (E-D) model to describe the adsorption of bovine serum albumin (BSA) onto cellulose diacetate/polyethyleneimine (CA/PEI) blend membranes with and without Cu2+ chelating. E-D model was found to better describe the initial region of experimental breakthrough curves. The influence of axial dispersion was revealed and it showed the importance of design of the module to homogenously distribute feed solution. IA model was found to be better for the whole experimental breakthrough curve. According to it, the capacity of affinity membranes and the specificity of the interaction are of equal importance for the design of affinity membranes. An optimum feed concentration was also found in the operation of MAC. The discrepancy between experimental optimum feed concentrations and predicted ones from IA model may be due to the ignorance of some experimental effects such as axial dispersion.