AIChE Journal

Publisher: American Institute of Chemical Engineers, John Wiley and Sons

Description

The AIChE Journal is the premier research monthly in chemical engineering and related fields. This peer-reviewed and broad-based journal reports on the most important and latest technological advances in core areas of chemical engineering as well as in other relevant engineering disciplines. To keep abreast with the progressive outlook of the profession, the Journal has been expanding the scope of its editorial contents to include such fast developing areas as biotechnology, electrochemical engineering, and environmental engineering.

  • Impact factor
    2.58
  • 5-year impact
    2.54
  • Cited half-life
    0.00
  • Immediacy index
    0.61
  • Eigenfactor
    0.02
  • Article influence
    0.77
  • Website
    AIChE Journal website
  • Other titles
    AIChE journal (Online), AIChE journal, American Institute of Chemical Engineers journal
  • ISSN
    1547-5905
  • OCLC
    43667889
  • Material type
    Document, Periodical, Internet resource
  • Document type
    Internet Resource, Computer File, Journal / Magazine / Newspaper

Publisher details

John Wiley and Sons

  • Pre-print
    • Author can archive a pre-print version
  • Post-print
    • Author can archive a post-print version
  • Conditions
    • See Wiley-Blackwell entry for articles after February 2007
    • On personal web site or secure external website at authors institution
    • Deposit in institutional repositories is not allowed
    • JASIST authors may deposit in an institutional repository
    • Non-commercial
    • Pre-print must be accompanied with set phrase (see individual journal copyright transfer agreements)
    • Published source must be acknowledged with set phrase (see individual journal copyright transfer agreements)
    • Publisher's version/PDF cannot be used
    • Articles in some journals can be made Open Access on payment of additional charge
    • 'John Wiley and Sons' is an imprint of 'Wiley'
  • Classification
    ​ green

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: This paper presents a novel process design for a more cost-effective, greener process for making chemicals from shale gas and bioethanol. The oxidative coupling of methane (OCM) and co-cracking technologies are considered for converting methane and light natural gas liquids (NGLs), into value-added chemicals. Overall, the process includes four process areas: gas treatment, gas to chemicals, methane-to-ethylene, and bioethanol-to-ethylene. We develop a simulation-optimization method based on the NSGA-II algorithm for the life cycle optimization (LCO) of the process modelled in the Aspen HYSYS. An energy integration model is also fluidly nested using the mixed-integer linear programming. The results show that for a “good choice” optimal design, the minimum ethylene selling price is $655.1/ton and the unit global-warming potential of ethylene is 0.030 kg CO2-eq/kg in the low carbon shale gas scenario, and $877.2/ton and 0.360 kg CO2-eq/kg in the high carbon shale gas scenario. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: A general theoretical model is presented to analyze the steady-state decomposition process of liquid monopropellants in packed beds for thruster systems. Additionally, an experiment studying the decomposition of liquid hydrazine in a packed bed is employed to validate this model. The liquid droplet evaporation rate is determined through calculating the gas-liquid mass transfer for the mixture temperatures lower than the liquid propellant boiling point and solving the gas-liquid or liquid-solid heat transfer equations at the temperature exceeding the boiling point. The process of liquid propellant decomposition in packed beds are simulated based on the Naive-Stokes equation for the mixture model integrated with the developed liquid evaporation rate, in which both the heterogeneous catalytic reaction coupled with the diffusion of reactants in the pore of catalyst, and the homogenous decomposition reactions are considered. The calculated results for the axial distribution of the temperature are in good agreement with the experimental data. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: This paper introduces the concept of synthesizing carbon, hydrogen, and oxygen (C-H-O) SYmbiosis Networks (CHOSYNs) for the design of eco-industrial parks (EIPs). Within a CHOSYN, compounds containing C-H-O are exchanged, converted, separated, mixed, and allocated. The use of C-H-O as the basis for integration creates numerous opportunities for synergism because C, H, and O are the primary building blocks for many industrial compounds that can be exchanged and integrated. A particularly attractive feature of the CHOSYN framework is its ability to use atomic-based targets to establish benchmarks for the design of macroscopic systems involving multiple processes. Several structural representations, benchmarking, and optimization formulations are developed to embed potential CHOSYN configurations of interest and to synthesize cost-effective networks. A case study with several scenarios is solved to demonstrate the new concept and tools. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: The effect of flow history on fluid phase entrapment during immiscible two-phase flow in Hele-Shaw cells packed with spherical and crushed glass beads is investigated. The wetting fluid is injected into an initially-oil saturated cell at a well-defined capillary number. It is observed that the size and shape of the trapped clusters strongly depend on the history of flooding such that less oil was trapped in the medium when the injecting capillary number gradually increased to the final maximum capillary number compared to the case when the injection was started and maintained constant at the maximum capillary number. In addition, a comprehensive series of experiments were conducted to delineate the effects of the capillary number on the phase entrapment. Contrary to previously published data, our experimental data reveals that the residual oil saturation depends on capillary number non-monotonically. A physically based relationship to scale the capillary desaturation curve is proposed. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: Pressure has a significant effect on bubble breakup, and bubbles and droplets have very different breakup behaviors. This work aimed to propose a unified breakup model for both bubbles and droplets including the effect of pressure. A mechanism analysis was made on the internal flow through the bubble/droplet neck in the breakup process, and a mathematical model was obtained based on the Young–Laplace and Bernoulli equations. The internal flow behavior strongly depended on the pressure or gas density, and based on this mechanism a unified breakup model was proposed for both bubbles and droplets. For the first time, this unified breakup model gave good predictions of both the effect of pressure or gas density on the bubble breakup rate and the different daughter size distributions of bubbles and droplets. The effect of the mother bubble/droplet diameter, turbulent energy dissipation rate and surface tension on the breakup rate and daughter bubble/droplet size distribution were discussed. This bubble breakup model can be further used in a population balance model (PBM) to study the effect of pressure on the bubble size distribution, and in a CFD-PBM coupled model to study the hydrodynamic behaviors of a bubble column at elevated pressures. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: The optimal design and operations of water supply chain networks for shale gas production is addressed. A mixed-integer linear fractional programming (MILFP) model is developed with the objective to maximize profit per unit freshwater consumption, such that both economic performance and water-use efficiency are optimized. The model simultaneously accounts for the design and operational decisions for freshwater source selection, multiple transportation modes, and water management options. Water management options include disposal, commercial centralized wastewater treatment (CWT), and onsite treatment (filtration, lime softening, thermal distillation). To globally optimize the resulting MILFP problem efficiently, three tailored solution algorithms are presented: a parametric approach, a reformulation-linearization method, and a novel Branch-and-Bound & Charnes-Cooper transformation method. The proposed models and algorithms are illustrated through two case studies based on Marcellus shale play, in which onsite treatment shows its superiority in improving freshwater conservancy, maintaining a stable water flow, and reducing transportation burden. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: Graphene is inclined to stack with each other that greatly hinders the full utilization of its intrinsic extraordinary properties. Introducing protuberant spacers is a straightforward strategy to avoid the stacking of graphene nanosheets, resulting in a novel unstacked double-layer template graphene (DTG) structure. Herein, a family of layered double hydroxides (LDHs) were employed for the bulk chemical vapor deposition (CVD) of DTG in a fluidized-bed reactor. A high specific surface area of 1554.2m2 g−1 and a large pore volume of 1.70cm3 g−1 were achieved. When employed as the electrode material for supercapacitors, the DTG afforded a specific capacitance of 65.5 F g−1 at a sweep rate of 5.0 mV s−1 and a capacitance retention of 77% when the sweep rate was increased to 500 mV s−1. Therefore, the DTG obtained via fluidized bed CVD is a promising electrode material for supercapacitor applications. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: An oscillating feedback micromixer with no moving parts comprises an inlet channel, a diverging mixing chamber, a splitter, two feedback channels, and an outlet channel. Using the Coanda effect, two liquids are passively mixed in an oscillating feedback micromixer. Three oscillating feedback micromixers were experimentally investigated using two miscible liquids. The first had asymmetric feedback channels and a splitter, the second had symmetric feedback channels and a splitter, and the third had symmetric feedback channels and no splitter. Three chaotic mixing modes — vortex mixing, internal recirculation mixing, and oscillating mixing — were observed with increasing Reynolds numbers. The asymmetric oscillating feedback micromixer was determined to have the best mixing performance among the three micromixers. The splitter and asymmetric feedback channels can facilitate internal recirculation through feedback channels and fluidic oscillation, thereby enhancing the mixing efficiency. A completed mixing was achieved in the asymmetric micromixer. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: In this study, we investigated H2O adsorptions inside porous materials, including silica zeolites, zeolite imidazolate frameworks (ZIFs), and metal-organic frameworks (MOFs) by using molecular simulations with different water models. Due to the existence of coordinately unsaturated metal sites, the predicted adsorption properties in M-MOF-74 (M=Mg, Ni, Co, and Zn) and Cu-BTC are found to be greatly sensitive to the adopted H2O models. Surprisingly, the analysis of the orientations of H2O minimum energy configuration in these materials show that three-site H2O models predict an unusual perpendicular angle of H2O plane with respect to the Metal-O4 plane, whereas those models with more than three sites give a more parallel angle that is in better agreement with the one obtained from density functional theory (DFT) calculations. In addition, the use of these commonly used models estimates the binding energies with the values lower than the ones computed by DFT ranging from 15% to 40%. To correct adsorption energies, we used a simple approach to adjust metal-O(H2O) sigma parameters to reproduce the DFT-calculated binding energies. With the refined parameters, the computed water isotherms inside Mg-MOF-74 and Cu-BTC are in reasonable agreement with experimental data, and provide significant improvement compared to the predictions made by the original models. Further, a detailed inspection on the water configurations at higher-pressure region was also made, and we observed that there is an interesting two-layer water network formed by using three- and four-site models. This article is protected by copyright. All rights reserved.
    AIChE Journal 12/2014;
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    ABSTRACT: A modeling-based approach is presented to understand physically realistic and technologically interesting material properties and operating configurations of packed-bed membrane reactors (PBMRs) for propane dehydrogenation (PDH). PBMRs composed of microporous or mesoporous membranes combined with a PDH catalyst are considered. The influence of reaction and membrane transport parameters, as well as operating parameters such as sweep flow and catalyst placement, are investigated to determine desired ‘operating windows' for isothermal and non-isothermal operation. Higher Damköhler (Da) and lower Péclet (Pe) numbers are generally helpful, but are much more beneficial with highly H2-selective membranes rather than higher-flux, lower-selectivity membranes. H2-selective membranes show a plateau region of conversion that can be overcome by a large sweep flow or countercurrent operation. The latter shows a complex trade-off between kinetics and permeation, and is effective only in a limited window. H2-selective PBMRs will greatly benefit from the fabrication of thin (∼1μm or less) membranes. This article is protected by copyright. All rights reserved.
    14 AIChE Annual Meeting; 11/2014
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    ABSTRACT: Economic model predictive control (EMPC) is a control methodology that unites feedback control and real-time process economic optimization (e.g., [1]-[5]). The optimization problem of EMPC consists of three main parts: an objective function that accounts for the process economics, process constraints including state and inputs constraints and other constraints like stability and performance constraints, and a dynamic model to predict the future evolution of the process (thus, be able to select the optimal input profile with respect to the economics over an operating horizon). Regardless of the implementation strategy of EMPC (i.e., centralized, distributed, or hierarchical), the computation time required to solve the optimization-based controller is non-zero in practice. The computation time may be significant or insignificant depending on the time constants of the process dynamics. When the computation time is significant, using an EMPC that does not account for the delay caused by the computation time may lead to unstable closed-loop operation and/or performance degradation. However, no theoretical work on the closed-loop stability properties of EMPC accounting for the computation delay as been completed. To this end, EMPC for real-time implementation is considered in this work. Specifically, a Lyapunov-based EMPC (LEMPC) [4] explicitly accounting for computational delays is proposed. From a performance perspective, it may be advantageous to provide the EMPC with knowledge of the computation delay when they are significant. Thus, the EMPC is formulated with a model that treats the computational delay as an input time-delay and the average computation time is used to model the input time-delay. From a stability perspective, there is a (theoretical) maximum amount of time that the optimization problem solver may spend in computation and must return a control action by this maximum amount of time to ensure closed-loop stability. A rigorous bound on the maximum amount of computation time to ensure closed-loop is derived. The bound will be used to force the solver to return a control action by the maximum computational time required for stability. By the design of the LEMPC, the returned control action, which may be returned before the solver converges to a (local) solution, is guaranteed to be stabilizing. The proposed LEMPC is demonstrated on a chemical process example to show that closed-loop stability can be maintained in the presence of computation delay. [1] Angeli D, Amrit R, Rawlings JB. On average performance and stability of economic model predictive control. IEEE Transactions on Automatic Control. 2012;57:1615-1626. [2] Amrit R, Rawlings JB, Angeli D. Economic optimization using model predictive control with a terminal cost. Annual Reviews in Control. 2011;35:178-186. [3] Huang R, Harinath E, Biegler LT. Lyapunov stability of economically oriented NMPC for cyclic processes. Journal of Process Control. 2011;21:501-509. [4] Heidarinejad M, Liu J, Christofides PD. Economic model predictive control of nonlinear process systems using Lyapunov techniques. AIChE Journal. 2012;58:855-870. [5] Ellis M, Durand H, Christofides PD. A tutorial review of economic model predictive control methods. Journal of Process Control, in press.
    14 AIChE Annual Meeting; 11/2014
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    ABSTRACT: The modified zeolite A was prepared by a two-step crystallization method to remove scale-forming cations from water and geothermal water. The adsorption kinetics, mechanism and thermodynamics were studied. The calcium ion adsorption capacity of the modified zeolite A was 129.3mg/g (1 mg/g=10-3kg/kg) at 298K. The adsorption rate was fitted well with pseudo second-order rate model. The adsorption process was controlled by film diffusion at the calcium ion concentration less than 250mg/L (1 mg/L=10-3 kg/m3), and it was controlled by intraparticle diffusion at the concentration larger than 250mg/L. The calculated mass transfer coefficient ranged from 2.23×10-5 to 2.80×10-4cm/s (1 cm/s=10-2m/s). Dubinin-Astakhov isotherm model could appropriately describe the adsorption thermodynamic properties when combined with Langmuir model. The adsorption process included not only ion exchange but also complexation between calcium and hydroxyl ions. The adsorption was spontaneous and endothermal in nature. The high adsorption capacity indicates that the modified zeolite A is a good adsorption material for scaling removal from aqueous solution. © 2014 American Institute of Chemical Engineers AIChE J, 2014
    AIChE Journal 11/2014;
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    ABSTRACT: We analyze the flow and mass transfer in a discontinuous reactor configuration consisting of a pair of corotating enclosed disks with a chemical reaction taking place at the disk surfaces. The calculated mass transfer efficiencies do not follow the expected Sh = Sh(Re,Sc) dependence because the overall mass transfer process is not boundary–layer controlled, especially at high Schmidt numbers.It has been found in all of the cases investigated that despite the fact that the reactant concentration is continuously dropping with time its spatial distribution, relative to the volume–averaged value, becomes stationary after a short initial transient. This result implies that the mass transfer efficiency in the discontinuous reactor also becomes stationary and the resulting time–independent value, Sh∞, obtained either directly from calculation or from the fit of the collected results, provides a fairly good estimate of the reactor operation time needed to achieve the target reactant conversion. © 2014 American Institute of Chemical Engineers AIChE J, 2014
    AIChE Journal 11/2014;
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    ABSTRACT: A novel low pressure device was used to generate nanoemulsions of methyl methacrylate. This device is based on a strong elongational flow known to be more efficient than the shear flow for dispersive mixing. The influence of process parameters (pressure drop number of cycles, number and size of holes) and composition parameters (monomer fraction, surfactant concentration,…) on droplet size has shown that the average droplet size can be tailored in the range 30 – 200 nm by adjusting these parameters. The objective of the present paper is to find correlations that relate the obtained droplet size to the studied process and composition parameters. This model is based on a dimensional analysis using the Buckingham theorem in order to determine appropriate dimensionless numbers. This approach represents a first step for scaling up the device besides giving a set of parameters allowing to achieve a given droplet size. This article is protected by copyright. All rights reserved.
    AIChE Journal 11/2014;
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    ABSTRACT: Scale-up of agitated drying processes to minimize particle size changes in Active Pharmaceutical Ingredients can be challenging. Particle agglomeration or attrition problems due to agitated drying are often discovered upon the initial scale-up from the lab to the plant. Traditional laboratory drying equipment has not successfully reproduced the degree of agglomeration or attrition observed at scale. This discrepancy may be attributed to the ability of particulate solids, such as crystalline API's, to transfer stresses from the normal direction into the shearing direction. As batch size increases during scale-up, the compressive and shearing forces experienced by the API increase. To overcome this limitation, a modified laboratory setup was constructed which reproduces the range of hydrostatic pressures observed during scale-up. This work highlights the use of the modified setup to characterize the propensity for particle attrition to occur at different stages of the drying process by measuring impeller torque. Torque measurements of the API powder at different hydrostatic pressures revealed a behavior consistent with Coulomb's law of friction. The torque data obtained from these measurements was used to determine the bulk friction coefficient for API powder beds at different liquid content. Additionally, the amount of work done by the impeller blades was correlated to the degree of particle attrition observed. A workflow for assessing risk of API attrition at scale is described. © 2014 American Institute of Chemical Engineers AIChE J, 2014
    AIChE Journal 11/2014;
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    ABSTRACT: The fundamental principles of chemical product design and associated systematic tools, within a broad domain of chemical products including molecules, formulations and devices, are still under development. In this paper, we propose a simple and fundamental conceptual model that defines the chemical product design problem as the inversion of three central design functions: quality, property and process functions. The classic iterative cycles of product design problems may be envisioned as alternating between inversion and evaluation of these three functions, or in other words alternating between synthesis and analysis of solutions. On top of the proposed basic structure of the overall design problem, we then discuss the formulation of some subproblems as optimization problems and describe some useful solution tools. Three application examples are provided, including a more detailed case of formulation of a pharmaceutical ointment. This article is protected by copyright. All rights reserved.
    AIChE Journal 11/2014;