Simulation of partial oxidation of natural gas to synthesis gas using ASPEN PLUS

Conversion of natural gas to liquid fuels is a challenging issue. In SMDS process natural gas is first partially oxidized with pure oxygen to synthesis gas (a mixture of H₂ and CO) which is then converted to high quality liquid transportation fuels by utilizing a modernized version of the Fischer-Tropsch reaction. This paper presents a computer simulation of the first stage of the process, i.e. the synthesis gas production from natural gas. ASPEN PLUS equipped with a combustion databank was used for calculations. Concentrations of over 30 combustion species and radicals expected in the synthesis gas have been calculated at equilibrium and several non-equilibrium conditions. Using a sensitivity analysis tool, the relative feed flow rates and reactor parameters have been varied searching to maximize the CO/O₂ yield as well as to minimize the undesired nitrogen compounds in the product stream. The optimum reactor temperature for maximizing the CO mole fraction in the synthesis gas was also calculated.     

Non-Isothermal crystallization of isotactic polypropylene in dotriacontane. I: Effects of dilution,cooling rate,and nucleating agent addition on overall crystallization kinetics

The overall non-isothermal crystallization kinetics for nucleated and non-nucleated isotactic polypropylene (iPP) in dotriacontane systems was investigated. Adipic acid was used as the nucleating agent. Crystallization peak temperature was determined via differential scanning calorimetry as a function of the experimentally controlled variables iPP concentration, cooling rate, and nucleating agent concentration. The influence of these variables on crystallization mechanism and spherulitic structure as implied by the Ozawa and Ziabicki analyses was determined. The non-isothermal crystallization kinetics presented here are the first for iPP-diluent systems with and without nucleating agent.     

Polydispersity effect on transient flow behavior of polystyrene solution

Summary The transient flow behavior of the binary blend of monodisperse polystyrene fractions is measured by a flow birefringence method. Both of the shear stress and first normal stress difference are obtained simultaneously in time by using a PMFB technique. The entanglements of the polymer chains significantly affect the rheological property of the binary blend in flow region. Especially, the entanglements of the high molecular weight fractions with themselves is proven to be the main source to the growth of first normal stress differences.     

Preparation of ketoprofen‐loaded high‐molecular‐weight poly(vinyl alcohol) gels

High‐molecular‐weight atactic poly(vinyl alcohol) (a‐PVA) gels loaded with (R,S)‐2‐(3‐benzoylphenyl)propionic acid (ketoprofen) were prepared from 5, 6, 7, and 8 g/dL solutions of a‐PVA with a number‐average degree of polymerization of 4000 in an ethylene glycol/water mixture with an aging method to identify the effect of the initial polymer concentration on the swelling behavior, morphology, and thermal properties of a‐PVA gels. Then, the release behavior of ketoprofen from a‐PVA gels was investigated. As the polymer concentration decreased, the ability for network formation decreased, and the degree of swelling of the a‐PVA gels increased. In addition, the enthalpy increased with an increase in the a‐PVA concentration, but the melting temperatures of the gels prepared at different initial polymer concentrations were the same; this indicated that tighter gel networks would be formed by a higher polymer chain density. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007     

Permanent jet formation in beds of particulate solids

The simple criterion proposed by Chandnani and Epstein (1984, 1986) for stable spouting, d_or/d_p ≤ 25.4, is shown to give a good separation between gas-solid systems which form permanent jets and those that bubble, for a wide range of experimental data reported in the literature. The criterion is suggested as a necessary but not sufficient condition for permanent jet formation in fluidized, spout-fluid and spouted beds.     

Estimation of rheological parameters using velocity measurements

In the present investigation, we develop a method for estimating rheological parameters of viscoelastic fluids using velocity measurement in a square straight channel. It is believed that a somewhat complicated patterns of secondary flows due to the non-zero second normal stress difference are more useful than the simple viscometric flows traditionally adopted in the determination of rheological parameters. The inverse problem of determining the rheological parameters from a set of velocity measurements is solved using a conjugate gradient method. When applied to a general constitutive equation encompassing the UCM model, the Oldroyd-B model and the PTT model, the present method is found to yield a reasonably accurate estimation of five rheological parameters simultaneously even with noisy velocity measurements.     

An NMR study of acid sites on chlorided alumina catalysts using trimethylphosphine as a probe

The MAS-NMR spectra of adsorbed trimethylphosphine (TMP) were used to determine the concentration of Brønsted and Lewis acid sites on pure and chlorinated-Al₂O₃ samples. Chlorination with CHCl₃,CCl₄ or AlCl₃ promoted the formation of Brønsted acid centers, which are characterized by the protonated adduct of TMP. This adduct has a³¹P chemical shift of ca. –3.8 ppm and a J_P–H scalar coupling of 517 Hz. Additional resonances in the –44 to –54 ppm range are attributed to Lewis acid-base pairs. In some cases a partially resolved J_P–Al coupling is observed, which confirms the assignment. Upon thermal treatment of a chlorinated sample at temperatures > 200°C, the concentration of Brønsted acid centers decreased; the concentration of one type of Lewis acid increased and another remained almost constant. In a parallel set of experiments the initial conversion ofn-hexane at 150°C and the yields of cracking and isomerization products were determined. Comparable functional relationships were observed between the loss of Brønsted acid sites and the decrease in yields of both cracking and isomerization products. These results suggest that Bransted acidity is responsible for the cracking and isomerization ofn-hexane over chlorided aluminas at 150°C.     

Flood Inundation Modelling for Mid‐Lower Brisbane Estuary

This study utilizes a two‐dimensional hydrodynamic model to calibrate and validate an inundation model for the Brisbane River estuary in Queensland, Australia. The bathymetry data used in the hydraulic model are derived from one arc second (1 s) shuttle radar topography mission digital elevation model, and the two‐dimensional hydraulic model is parameterized using the generated bathymetry with four open boundaries with water level observations and roughness coefficients. The calibration performance is evaluated by comparing the simulated results with the digitized records during the January 2013 flood event (a low magnitude event) at three gauging stations. The calibrated model is validated with water level data and available discharge data during the January 2011 flood (a large magnitude event) at four gauging stations located along the Brisbane River. Different performance indices are applied to demonstrate that the developed model performs well during calibration and validation. A sensitivity analysis is presented to assess the influence of riverbed elevation changes on the model because the main uncertainty of the model is the bathymetry data. The proposed model with the shuttle radar topography mission digital elevation model‐derived riverbed elevation for the Brisbane estuary is able to predict the flood inundation extent at an accuracy of 66.9% which is higher than or comparable with the accuracies of the existing studies. However, it is expected that the accuracy will increase if some improved bathymetry data become available in the future. Copyright © 2016 John Wiley & Sons, Ltd.     

Rubber‐toughened polypropylene nanocomposite: Effect of polyethylene octene copolymer on mechanical properties and phase morphology

Rubber‐toughened polypropylene (PP)/org‐Montmorillonite (org‐MMT) nanocomposite with polyethylene octene (POE) copolymer were compounded in a twin‐screw extruder at 230°C and injection‐molded. The POE used had 25 wt % 1‐octene content and the weight fraction of POE in the blend was varied in the range of 0–20 wt %. X‐ray diffraction analysis (XRD) revealed that an intercalation org‐MMT silicate layer structure was formed in rubber‐toughened polypropylene nanocomposites (RTPPNC). Izod impact measurements indicated that the addition of POE led to a significant improvement in the impact strength of the RTPPNC, from 6.2 kJ/m² in untoughened PP nanocomposites to 17.8 kJ/m² in RTPPNC containing 20 wt % POE. This shows that the POE elastomer was very effective in converting brittle PP nanocomposites into tough nanocomposites. However, the Young's modulus, tensile strength, flexural modulus, and flexural strength of the blends decreased with respect to the PP nanocomposites, as the weight fraction of POE was increased to 20 wt %. Scanning electron microscopy (SEM) was used for the investigation of the phase morphology and rubber particles size. SEM study revealed a two‐phase morphology where POE, as droplets was dispersed finely and uniformly in the PP matrix. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 99: 3441–3450, 2006     

Physical characteristics of sweet potato pulp/polycaprolactone blends

Sweet potato pulp (SSP) obtained as a by‐product from starch extraction was blended with polycaprolactone (PCL) to prepare a biodegradable plastic material. In the blends, PCL was used as a reinforcing agent. The SPP/PCL blends were prepared by compression‐molding under high temperature and pressure, at different SPP/PCL ratios, and the mechanical properties of the molded specimens were tested. Matrix structure and thermal properties were measured by using a Fourier transform infrared (FTIR) spectrophotometer, scanning electron microscope (SEM), differential scanning calorimetry (DSC), and thermogravimetric analyzer (TGA). Mechanical properties (tensile and flexural properties) were also measured to find the most suitable ratio in a SSP/PCL blend. During compression molding of the SPP/PCL blends under high pressure and temperature, chemical reaction occurred between SPP and PCL, and thus, thermal stability and mechanical strength of the blends increased and water uptake decreased. Also, by increasing the PCL content in the blend, the matrix in the blend became more homogeneous, and consequently, mechanical strength of the molded specimen increased. At 7/3 or 6/4 weight ratio of SSP/PCL, water uptake of the molded specimen became substantially less than that at 8/2. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 92: 861–866, 2004