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  • 1
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 959-973 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The interaction between a winter flounder antifreeze polypeptide and an ice/water interface was studied using Molecular Dynamics computer simulation techniques to study the mechanism of action of this class of antifreeze molecules. Simple Point Charge models were used for the water molecules, and a molecular mechanics program (CHARMM) was used to construct the model for the polypeptide. A (2021) face was exposed on the ice surface, as this is believed to be the experimentally favored ice face for peptide binding. The polypeptide binds strongly to the ice surface even though it was placed with its four polar threonine (Thr) groups pointing away from the ice surface. This tested the previously advanced hypothesis that adsorption occurs primarily between these groups and the ice due to a matching of the spacing between oxygen atoms in the ice lattice and the polar Thr residues. As well as contacts with other polar groups on the peptide, the binding to the ice produces a good steric fit of the peptide with the corrugated ice interface. The presence of the peptide did not induce any melting of the ice at 200 K.
    Additional Material: 11 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1324-1328 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 3 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 949-953 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 239-248 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A thermodynamic framework is developed for calculating wax precipitation in petroleum mixtures over a wide temperature range. The framework uses the experimentally supported assumption that precipitated wax consists of several solid phases; each solid phase is described as a pure component or pseudocomponent that does not mix with other solid phases. Liquid-phase properties are obtained from an equation of state. Calculated wax-precipitation data are in excellent agreement with experimental results for binary and multicomponent hydrocarbon mixtures, including petroleum.
    Additional Material: 12 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 649-659 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Drop breakup mechanisms inside a cavity flow are presented for two immiscible fluids. Due to the nonuniform flow condition of the cavity, the breakup mechanism varied along the streamlines. The streamlines were characterized by stream zones A and B, where zone A possessed a methodical transient breakup governed by Tomotika's breakup via capillary instabilities, and the breakup mechanism of stream zone B consisted of tip streaming breakup, an inefficient breakup mechanism. The flow behavior near flight region had a significant role in the drop breakup mechanisms. The study of the evolution of drop dispersion showed that the matrix viscosity is critical in controlling the transient breakup process and that the shear rate increase had little or no effect on the drop breakup.
    Additional Material: 27 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1171-1183 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A general numerical method is developed for multicomponent chromatography for the case where a pH gradient occurs and several buffering species are present that become adsorbed together with the components being separated through an ion-exchange mechanism. Acid-base equilibrium relations are used to determine the ionic compositions in the liquid and adsorbed phases and are solved using a single-variable Newton's method. The differential material-balance relations are integrated numerically using the method of characteristics. The transport relations are incorporated using a matrix analog of the linear-driving-force approximation. The resulting method accounts for the adsorption of each ionic form of each buffering species, for multicomponent diffusional interactions arising from induced electric fields, for volume and concentration overloading of proteins, and for changes in the adsorption capacity caused by pH variations. Numerical calculations illustrate factors govening the selection of the adsorbent and buffer components for use in separating mixtures of proteins using retained, internally generated pH gradients.
    Additional Material: 12 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1165-1170 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Cross-linked terpolymers of allyl acetylacetone, 2-hydroxyethyl methacrylate, and ethylene glycol dimethacrylate were synthesized in the oil phase of a bicontinuous microemulsion stabilized with didodecyldimethylammonium bromide. The resulting material is porous, with a surface area of 58 m2/dry g. It selectively adsorbs copper, picking up 0.07 meq/dry g from a 0.1-M solution. This is less than the total apparent capacity of 0.65 meq/dry g inferred from titration with base and much less than the amount in conventional, nonselective resins, which is typically 5 meq/dry g. Breakthrough curves in packed beds and across membranes of this material seem consistent with uptake controlled by chemical reaction compromised by dispersion. Nonporous membranes of this material do not show facilitated transport.
    Additional Material: 7 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1306-1318 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Laser flash photolysis of the hydrogen abstraction reaction of triplet benzophenone (3BP) from 2-propanol and 1,4-cyclohexadiene in supercritical ethane and fluoroform was investigate. Bimolecular rate constants based on bulk concentrations decrease with an increase in pressure along both isotherms studied. These results corroborate our previous studies in CO2 that show increased reaction rates due to enhanced local compositions of cosolvent around the 3BP solute. Analysis of the results includes prediction of the thermodynamic pressure effect on the rate constant, which suggests an increase in the rate constant with pressure, as well as the effects of increased local cosolvent concentrations about 3BP. Spectroscopic measurements of the local composition of 2-propanol about a solute in supercritical CO2 are used to explain the apparent discrepancy between experiment and prediction, providing reasonable evidence that the local environment can influence kinetically controlled reactions in supercritical fluids.
    Additional Material: 9 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2058-2066 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A Steady-state fouling-resistance and osmotic-pressure model is used to predict flux in the laminar, Cross-flow ultrafiltration of micellar cetyl ( =hexadecyl)pyridinium chloride (CPC) solutions at 0.01-M NaCl background electrolyte. The model assumes a constant overall hydraulic resistance including the effect of surfactant fouling and native membrane resistance. Measurements of osmotic pressures of CPC solutions at 0.01-M NaCl as a function of surfactant concentration describe the effect of concentration polarization on permeate flux. Two types of asymmetric polythersulfone membranes are used : 5,000 molecular weight cutoff (MWCO) membranes that allow partial monomer permeation, but quantitatively reject all micelles; 50,000 MWCO membranes that allow some micelle permeation. For the former, the intrinsic refection coefifient for monomer, measured separately, is sufficient to describe surfactant rejection, without adjustable parameters. Predictions of the volumetric flux of the permeate, including the value of the limiting flux, agree well with the experimental results over the entire range of pressure drop, axial velocity, and bulk surfactant concentration. For the 50,000 MWCO membrances, the data are described using a best-fit value of the overall surfactant rejection coefficient. For the first time, unusual behavior is observed experimentally in which the flux levels off with increasing pressure drop. Both effects are in accord with the proposed model. No gel layer need be postrulated to explain the flux behavior of either membrane type.
    Additional Material: 12 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2631-2636 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Exothermic chemical reactions are capable otautocatalytic self-propagation in a condensed reactive medium as a thermal wave. These take place in self-propagating high-temperature synthesis, frontal polymerization, curing of epoxy resins, and various solid-phase reaction processes. The lack of accurate analytical solutions for the front velocity and spatial parameter distributions has led to a period of approximate analytical solutions based on the infinitely narrow reaction zone assumption. A more accurate reaction zone approximation is presented that results in new equations for temperature and concentration spatial distributions as well as the wave velocity. Necessaty conditions for nondegeneration of the combustion wave were also obtained.
    Additional Material: 6 Ill.
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