Periodic surface modeling for computer aided nano design

Current solid and surface modeling methods based on Euclidean geometry in traditional computer aided design are not efficient in constructing a large number of atoms and particles. In this paper, we propose a periodic surface model for computer aided nano design such that geometry of atoms and molecules can be constructed parametrically. At the molecular scale, periodicity of the model allows thousands of particles to be built efficiently. At the meso scale, inherent porosity of the model represents natural morphology of polymer and macromolecule. Surface and volume operations are defined to support crystal and molecular model creation with loci and foci periodic surfaces. The ultimate goal is to enable computer assisted material and system design at atomic, molecular, and meso scales.     

Lactic acid production from dining‐hall food waste by Lactobacillus plantarum using response surface methodology

BACKGROUND: Food waste generally has a high starch content and is rich in nutritional compounds, including lipids and proteins. It therefore represents a potential renewable resource. In this study, dining‐hall food waste was used as a substrate for lactic acid production, and response surface methodology was employed to optimise the fermentation conditions. RESULTS: Lactic acid biosynthesis was significantly affected by the interaction of protease and temperature. Protease, temperature and CaCO₃ had significant linear effects on lactic acid production, while α‐amylase and yeast extract had insignificant effects. The optimal conditions were found to be an α‐amylase activity of 13.86 U g^?1 dried food waste, a protease activity of 2.12 U g^?1 dried food waste, a temperature of 29.31 °C and a CaCO₃ concentration of 62.67 g L^?1, which resulted in a maximum lactic acid concentration of 98.51 g L^?1 (88.75% yield). An increase in inoculum size would be appropriate for accelerating the depletion of initial soluble carbohydrate to enhance the efficiency of α‐amylase in dining‐hall food waste fermentation. CONCLUSION: A suitable regression model for lactic acid production was developed based on the experimental results. Dining‐hall food waste was found to be a good substrate for lactic acid fermentation with high product yield and without nutrient supplementation. Copyright © 2008 Society of Chemical Industry     

Surface characterization of PET nonwoven fabric treated by He/O2 atmospheric pressure plasma

The surface of polyethyleneterephthalate (PET) nonwoven fabric was modified by He/O₂ atmospheric pressure plasma treatment, varying plasma exposure time. The plasma treated PET surfaces have been analyzed to investigate the chemical nature and morphology of surface by X‐ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM), respectively. The change of wettability was measured depending on plasma exposure time. XPS results indicated the presence of oxygen‐based functional groups on the PET nonwoven fabric surface after plasma treatment and oxygen content increased as exposure time increased. The mean roughness increased after 30 s exposure and further increase in exposure to 60 s led to decrease of the roughness and then again increase. The root mean square roughness followed the similar trend to mean roughness. The average difference in height, Rz, increased after plasma exposure for 30 s, while it slightly decreased after 60 s exposure. Despite of redeposition, the Rz of 90 s exposed sample increased more than two times compared with those of 30 and 60 s exposed. Wettability increased progressively up to 10 times after 90 s exposure compared with the untreated. It is attributed to the increases of hydrophilicity and surface roughness. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Synthesis and aqueous solution behaviors of sodium sulfonate‐terminated dendritic poly(ester‐amine)

Sodium sulfonate‐terminated dendritic poly(ester‐amine) (SPEA) was synthesized by sulfonation of acrylic double bond‐terminated dendritic poly(ester‐amine) (APEA) with sodium hydrogen sulfite (NaHSO₃) in mixture of diglycol and 2‐butanone under normal pressure. The structure of SPEA was characterized by IR, ¹H‐NMR, and elemental analysis. SPEA was water‐soluble. 1.0–40.0% (mass) SPEA aqueous solutions appeared as dilatant fluid. When pH value varied from 1.5 to 12.0, the viscosity of 1–5% (mass) SPEA aqueous solutions changed very small, and the electric conductivity almost kept stable within pH 3.0–10.0. The relationship between the viscosity and the concentration of SPEA water solutions was similar to that of NaCl water solutions. The surface tension of SPEA water solutions was lower than that of polyethylene glycol 2000 water solutions with the same concentration. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Preparation of monodisperse poly(vinyl alcohol) microspheres by heterogeneous surface saponification and iodine complex formation

Monodisperse poly(vinyl acetate) (PVAc) microspheres with high molecular weight obtained by suspension polymerization of vinyl acetate were saponified in alkaline aqueous solution to keep their spherical structure. The saponification was restricted on the surface of the PVAc microspheres and obtained particles had skin/core structure. Various poly(vinyl alcohol) (PVA) microspheres with different diameters and degrees of saponification (DSs) were obtained. The conversion of PVAc to PVA during the heterogeneous surface saponification time were examined by nuclear magnetic resonance spectroscopy and after 72 h hydrogel type PVA microspheres completely saponified were obtained. The crystal melting temperatures of the microspheres obtained by the saponification were measured a constant value of 238°C irrespective of varying DS, and the peaks became enlarged as reaction time. Iodine complexes were formed in saponified microspheres with DS of 41% and 99% by immersing them in I₂/KI aqueous solution and decomposed by the reduction of I₂ in the complexes to 2I^? using sodium sulfite to confirm whether the skin formed through the saponification was composed of PVA with high VA content. Obviously, characteristic blue color developments owing to I₅^?‐PVA complexes were observed in both saponified regions and a red in the PVAc core. Consequently, it was concluded that the PVA skins formed by heterogeneous surface saponification had high DSs. Such complexes endowed polymeric microspheres a good radiopacity which would be useful in clinical treatment of vascular diseases and were examined by X‐ray irradiation image. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Synthesis and structural characterization of methacrylic acid/octadecyl acrylate‐graft‐poly(methylhydrosiloxane) by hydrosilylation

Methylmethacrylate (MMA) and octadecyl acrylate (OA) were grafted to poly(methylhydrosiloxane) (PMHS) by hydrosilylation, respectively, with hexachloroplatinic acid as catalyst, and the former was further hydrolyzed to prepare methacrylic acid (MAA)‐graft‐PMHS under the alkaline condition. Through orthogonal experiment, main factors affecting the graft reaction between OA and PMHS were discussed and arranged in a decreasing order according to their abilities of the effect on the hydrosilylation of OA with PMHS: catalyst dosage, reaction temperature, reaction time, material ratio, and solvent dosage. It was found that the hydrosilylation of OA with PMHS was easier to that of MMA with PMHS. Under optimal conditions, the grafting ratios of MMA with PMHS and OA with PMHS reached about 90 and 95%, respectively. FTIR and ¹H NMR spectra indicated that the hydrosilylation reactions followed the Markovnikov's rule and played a strong preference toward β‐1,2‐addition. The test of contact angle indicated that surface energy of a system was mainly dependent on the polar groups. The surface energy of OA‐graft‐PMHS (35.07 mN/m) was similar to those of PMHS (35.62 mN/m) and polyoctadecyl acrylate (36.57 mN/m), and lower than that of MAA‐graft‐PMHS (43.50 mN/m). © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008     

聚烯烃/纳米SiO2复合材料研究进展

论述了纳米SiO2的表面处理方法、复合材料的制备技术及其力学和光学性能。表明纳米SiO2分散于聚烯烃(PP、HDPE)中,可以提高基体的韧性、强度和模量。以纳米SiO2作为填料的聚乙烯棚膜,呈现优良的红外线吸收性能和可见光透过性能。为此,纳米SiO2可作为一种聚乙烯农膜的新型保温剂。     

Modeling dynamic developable meshes by the Hamilton principle

In this paper, a new dynamic developable surface model is proposed. The proposed model represents developable surfaces using triangle meshes. A novel algorithm is proposed to introduce the Hamilton principle into these meshes such that the resulting developable model is dynamic, i.e., it can offer a time-dependent continuous path to deform the model. Applications with examples are presented; these show that the proposed technique can model buckled developable surfaces well, and can offer physically-realistic animations of deformed developable surfaces.     

Effect of thermophoresis on particle deposition rate from a natural convection flow onto a vertical wavy plate

This research discusses the impacts of the surface area that the wavy surface gets more than the flat plate upon the aerosol particle deposition. Starting from the full Navier–Stokes equation, the mathematical analysis takes the thermophoretic motion formed by the temperature gradient and the fluid thermal expansion into consideration, and converts the governing equations into the boundary layer equation by the simple coordinate transformation and non-similarity method, and then works out these equations by the Spline Alternating-Direction Implicit method (SADI). The numerical value result reveals that the average deposition effect of the wavy plate is greater than the flat plate and that the increasing rate is nearly equal to the value obtained by dividing the surface area that the wavy plate gets more than the flat plate by 2.2.     

Accelerator Analysis of Tributyltin Adsorbed onto the Surface of a Tributyltin Resistant Marine Pseudoalteromonas sp. Cell

Tributyltin (TBT) released into seawater from ship hulls is a stable marine pollutant and obviously remains in marine environments. We isolated a TBT resistant marine Pseudoalteromonas sp. TBT1 from sediment of a ship’s ballast water. The isolate (10^{9.3 ± 0.2} colony-forming units mL⁻¹) adsorbed TBT in proportion to the concentrations of TBTCl externally added up to 3 mM, where the number of TBT adsorbed by a single cell was estimated to be 10^8.2. The value was reduced to about one-fifth when the lysozyme-treated cells were used. The surface of ethanol treated cells became rough, but the capacity of TBT adsorption was the same as that for native cells. These results indicate that the function of the cell surface, rather than that structure, plays an important role to the adsorption of TBT. The adsorption state of TBT seems to be multi-layer when the number of more than 10^6.8 TBT molecules is adsorbed by a single cell.