U.S. flag

An official website of the United States government

Dot gov

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Https

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

PubAg

Main content area

You searched for: Journal Industrial & engineering chemistry process design and development Remove constraint Journal: Industrial & engineering chemistry process design and development Publication Year 2019 Remove constraint Publication Year: 2019 Subject process design Remove constraint Subject: process design
Start Over

Search

1,433  Search Results

« Previous | 1 - 50 of 1,433 |
Number of results to display per page

Search Results

1. (Cross-Linked Poly(Ionic Liquid)–Ionic Liquid–Zeolite) Mixed-Matrix Membranes for CO₂/CH₄ Gas Separations Based on Curable Ionic Liquid Prepolymers

Author:
Collin A. Dunn; Zhangxing Shi; Rongfei Zhou; Douglas L. Gin; Richard D. Noble
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.11 pp. 4704-4708
ISSN:
1520-5045
Subject:
carbon dioxide; crosslinking; gelation; ionic liquids; liquids; methane; permeability; polymerization; polymers; process design; thin film composite membranes; ultrafiltration; zeolites
Abstract:
... A three-component (cross-linked poly(ionic liquid) (PIL)–ionic liquid (IL)–zeolite), mixed-matrix membrane (MMM) platform based on curable IL prepolymers of controlled length has been developed for separating CO₂ from CH₄. Solutions of these curable prepolymers demonstrate increased resistance to support penetration compared to comparable solutions of analogous cross-linkable IL monomers. By adjus ...
DOI:
10.1021/acs.iecr.8b06464

2. 110th Anniversary: A Case Study on Developing Accurate and Reliable Excess Gibbs Energy Correlations for Industrial Application

Author:
Paul M. Mathias
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.28 pp. 12465-12477
ISSN:
1520-5045
Subject:
Gibbs free energy; alcohols; algorithms; automation; case studies; chemistry; computer software; industrial applications; process design; theoretical models
Abstract:
... Excess Gibbs energy (Gᴱ) or activity-coefficient models have a strong niche in applied thermodynamics since they provide an effective method to correlate and estimate phase equilibrium for nonideal systems. The history of their development is well represented by many papers in the technical literature, and notably in the five score and ten years of publications in Industrial & Engineering Chemistr ...
DOI:
10.1021/acs.iecr.9b01624

3. 110th Anniversary: A Feature-Based Analysis of Static Real-Time Optimization Schemes

Author:
Bala Srinivasan; Dominique Bonvin
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 14227-14238
ISSN:
1520-5045
Subject:
models; process design; uncertainty
Abstract:
... This paper addresses the steady-state optimization of continuous processes in the presence of uncertainty in the form of unknown or time-varying model parameters, structural plant-model mismatch, and disturbances. To address these issues, we assume that certain measurements are available in real time, and the question is how the plant inputs can be updated based on these measurements to drive the ...
DOI:
10.1021/acs.iecr.9b02327

4. 110th Anniversary: A Perspective on Catalytic Oxidative Processes for Sustainable Water Remediation

Author:
Mayfair C. Kung; Junqing Ye; Harold H. Kung
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.37 pp. 17325-17337
ISSN:
1520-5045
Subject:
air; biomass; carbon; catalysts; catalytic activity; energy; hydrogen peroxide; leaching; oxidants; oxidation; phase transition; pollutants; process design; remediation; water pollution; water purification
Abstract:
... Catalytic oxidation of organic pollutants is an attractive and sustainable method of water purification. This paper focuses on discussion of catalytic activity, selectivity, and stability in catalytic wet air oxidation and advanced oxidation processes. The emphasis is on exploring the potential of applying relevant catalytic knowledge and information outside the field of water remediation, such as ...
DOI:
10.1021/acs.iecr.9b04581

5. 110th Anniversary: A Total Water Splitting Electrocatalyst Based on Borate/Fe Co-Doping of Nickel Sulfide

Author:
Zhao Zhang; Tianran Zhang; Jim Yang Lee
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.29 pp. 13053-13063
ISSN:
1520-5045
Subject:
borates; catalysts; electrochemistry; electrodes; foams; hydrogen; hydrogen production; microparticles; nickel; oxygen production; platinum; process design; sulfides
Abstract:
... The design of tunable low-cost electrocatalysts efficient in both the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER) is central to the clean production of hydrogen without the reliance on platinum group metals (PGMs), which are the best known electrocatalysts for these reactions today. In this study, a catalyst-integrated electrode with a tunable composition (borate/Fe d ...
DOI:
10.1021/acs.iecr.9b01976

6. 110th Anniversary: Accurate Modeling of the Simultaneous Absorption of H₂S and CO₂ in Aqueous Amine Solvents

Author:
Ismail I. I. Alkhatib; Luis M. C. Pereira; Lourdes F. Vega
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.16 pp. 6870-6886
ISSN:
1520-5045
Subject:
absorption; amines; carbon dioxide; chemical reactions; equations; ethanolamine; gases; hydrogen sulfide; prediction; process design; screening; solvents; thermodynamic models
Abstract:
... We present results concerning the application of soft statistical associating fluid theory (soft-SAFT), a molecular-based equation, for modeling the absorption of carbon dioxide and hydrogen sulfide in several aqueous amines, including monoethanolamine, diethanolamine, and N-methyldiethanolamine, at conditions of relevance for acid gas separation. The chemisorption of CO₂ and H₂S in aqueous amines ...
DOI:
10.1021/acs.iecr.9b00862

7. 110th Anniversary: An Effective Methodology for Kinetic Parameter Estimation for Modeling Commercial Polyolefin Processes from Plant Data Using Efficient Simulation Software Tools

Author:
Niket Sharma; Y. A. Liu
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 14209-14226
ISSN:
1520-5045
Subject:
active sites; catalysts; computer simulation; computer software; design for environment; models; oil and gas industry; packaging; polyethylene; polymerization; polyolefin; polypropylenes; prediction; process design
Abstract:
... Polyolefins are one of the most widely used commodity polymers with applications in films, packaging, and the automotive industry. The modeling of polymerization processes producing polyolefins, including high-density polyethylene (HDPE), polypropylene (PP), and linear low-density polyethylene (LLDPE) using Ziegler–Natta catalysts with multiple active sites, is a complex and challenging task. Most ...
DOI:
10.1021/acs.iecr.9b02277

8. 110th Anniversary: An Overview on Learning-Based Model Predictive Control for Batch Processes

Author:
Jingyi Lu; Zhixing Cao; Chunhui Zhao; Furong Gao
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.37 pp. 17164-17173
ISSN:
1520-5045
Subject:
batch systems; learning; markets; models; process design; product quality
Abstract:
... Batch processes repeatedly execute a given set of tasks over a finite duration, whose versatility and ability to adapt to rapidly changing markets make it prevalent in a multitude of industrial fields, particularly in the era of “smart manufacturing”. Nevertheless, frequent switching and wide-ranging facility operations incur significant nonlinearity and time variability in process dynamics, both ...
DOI:
10.1021/acs.iecr.9b02370

9. 110th Anniversary: Carbon Dioxide and Chemical Looping: Current Research Trends

Author:
Lukas C. Buelens; Hilde Poelman; Guy B. Marin; Vladimir V. Galvita
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.36 pp. 16235-16257
ISSN:
1520-5045
Subject:
carbon dioxide; carbon monoxide; process design
Abstract:
... Driven by the need to develop technologies for converting CO₂, an extraordinary array of chemical looping based process concepts has been proposed and researched over the past 15 years. This review aims at providing first a historical context of the molecule CO₂, which sits at the center of these developments. Then, different types of chemical looping related to CO₂ are addressed, with attention t ...
DOI:
10.1021/acs.iecr.9b02521

10. 110th Anniversary: Cellulose Nanocrystals as Organic Nanofillers for Cellulose Triacetate Membranes Used for Desalination by Pervaporation

Author:
Indah Prihatiningtyas; Alexander Volodin; Bart Van der Bruggen
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 14340-14349
ISSN:
1520-5045
Subject:
cellulose; desalination; hydrophilicity; mechanical properties; nanocomposites; nanocrystals; pervaporation; process design; sodium chloride
Abstract:
... Membranes with a high water flux and excellence in separating NaCl are required in pervaporation (PV) for water desalination. Cellulose nanocrystals (CNCs) are low cost and hydrophilic with good mechanical properties. Therefore, they could potentially enhance the water flux of PV membranes. Cellulose triacetate/cellulose nanocrystals (CTA/CNCs) nanocomposite PV membranes were successfully fabricat ...
DOI:
10.1021/acs.iecr.9b02106

11. 110th Anniversary: Characterization of a Condensing CO₂ to Methanol Reactor

Author:
Martin J. Bos; Yordi Slotboom; Sascha R. A. Kersten; Derk W. F. Brilman
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 13987-13999
ISSN:
1520-5045
Subject:
carbon dioxide; catalysts; heat transfer; liquids; mass transfer; methanol; models; process design; reaction kinetics; temperature
Abstract:
... A novel condensing reactor for conversion of CO₂ to methanol is characterized under forced convective conditions, both experimentally and by modeling. The goal of the study is to optimize the operation conditions and identify limitations of the reactor concept. Experimental results show that productivity is limited by reaction equilibrium and mass transport at high temperature (>250 °C), while rea ...
DOI:
10.1021/acs.iecr.9b02576

12. 110th Anniversary: Column Efficiency: From Conception, through Complexity, to Simplicity

Author:
Ross Taylor; Markus Duss
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.36 pp. 16877-16893
ISSN:
1520-5045
Subject:
absorption; chemical engineering; diffusivity; distillation; process design
Abstract:
... One of the most enduring concepts in chemical engineering is that of the efficiency of column operations such as distillation, absorption, and stripping. The concept was first articulated by W. K. Lewis in a paper published in the Journal of Industrial and Engineering Chemistry in 1922 [Lewis, W. K.J. Ind. Eng. Chem.1922, 14, 492]; it was further developed with significant contributions by E. V. M ...
DOI:
10.1021/acs.iecr.9b02378

13. 110th Anniversary: Commentary: CFD as a Modeling Tool for Fixed Bed Reactors

Author:
Behnam Partopour; Anthony G. Dixon
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.14 pp. 5733-5736
ISSN:
1520-5045
Subject:
artificial intelligence; fluid mechanics; models; porous media; process design
Abstract:
... Computational fluid dynamics (CFD) is a valuable tool in the modeling of fixed bed reactors. In particular, resolved-particle CFD in which a bed of particles is simulated directly, without invoking a porous media representation, is being used to probe reaction systems and understand the complexities of reactions in heterogeneous systems. Some reviews are now available, and the number of publicatio ...
DOI:
10.1021/acs.iecr.8b06380

14. 110th Anniversary: Commentary: Perspectives on Adsorption of Complex Mixtures

Author:
Krista S. Walton
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.37 pp. 17100-17105
ISSN:
1520-5045
Subject:
adsorbents; adsorption; chemical industry; cost effectiveness; energy; process design
Abstract:
... The development of new adsorbents or new adsorption separation processes has the potential to bring enormous energy and cost savings to the chemical process industry. Achieving success in this area requires a detailed understanding of how a proposed adsorbent performs under realistic conditions, but most research studies focus on idealized process streams. This critical lack of data on adsorption ...
DOI:
10.1021/acs.iecr.9b04243

15. 110th Anniversary: Commentary: The Smart Human in Smart Manufacturing

Author:
B. Wayne Bequette
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.42 pp. 19317-19321
ISSN:
1520-5045
Subject:
Internet; business enterprises; humans; manufacturing; models; process control; process design; supply chain; systems engineering
Abstract:
... Process systems engineering has been a vibrant field for over 60 years, encompassing process design, process optimization, process control, and related topics. During the past decade, the notions of the “factory of the future”, “Industry 4.0”, “Smart Manufacturing”, and the “Industrial Internet of Things” have become common terms, often appearing in the mainstream media. Making use of more data fr ...
DOI:
10.1021/acs.iecr.9b03544

16. 110th Anniversary: Comparison of Cavitation Devices Based on Linear and Swirling Flows: Hydrodynamic Characteristics

Author:
Alister Simpson; Vivek V. Ranade
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 14488-14509
ISSN:
1520-5045
Subject:
Reynolds number; diodes; energy; geometry; hydrodynamics; prediction; process design; risk
Abstract:
... The interest in cavitating flow reactors has intensified recently, and a significant amount of research effort has been focused on demonstrating the potential applications of hydrodynamic cavitation. However, the knowledge base on the design of devices to optimize cavitation yield, performance, and industrial scalability remains lacking. It is essential to develop a sound understanding of the key ...
DOI:
10.1021/acs.iecr.9b02757

17. 110th Anniversary: Concurrently Coating and Doping High-Valence Vanadium in Nickel-Rich Lithiated Oxides for High-Rate and Stable Lithium-Ion Batteries

Author:
Haifeng Yu; Yugang Li; Yanjie Hu; Hao Jiang; Chunzhong Li
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.10 pp. 4108-4115
ISSN:
1520-5045
Subject:
anodes; cathodes; coatings; graphene; hydrofluoric acid; ions; lithium; lithium batteries; nickel; oxides; process design; salts; vanadium
Abstract:
... Surface engineering and heteroelement doping are recognized as highly effective protocols to enhance nickel (Ni)-rich lithiated oxides. Herein, we report the kilogram-scale preparation of the concurrent coating and doping of high-valence vanadium (V) in Ni-rich LiNi₀.₈₁₅Co₀.₁₅Al₀.₀₃₅O₂ (denoted as V-NCA) cathode materials. Hydrofluoric acid (HF) is greatly restricted by removing the residual lithi ...
DOI:
10.1021/acs.iecr.8b06162

18. 110th Anniversary: Continuum Modeling of Granular Mixing in a Rotating Drum

Author:
Qijun Zheng; Liang Bai; Liuyimei Yang; Aibing Yu
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.41 pp. 19251-19262
ISSN:
1520-5045
Subject:
avalanches; diffusivity; drums (equipment); equations; kinematics; mixing; physical models; process design
Abstract:
... The mixing of granular materials is notoriously difficult to predict partly due to the complicated mixing mechanisms of particles and their variable flow kinematics. Despite many theoretical studies in idealized configurations of chute and rolling-mode drum, a generic macroscopic model for granular mixing has not been achieved. This paper proposes a continuum model for simulating the mixing of mon ...
DOI:
10.1021/acs.iecr.9b03642

19. 110th Anniversary: Design of Cooling Fluids for Electronic Equipment

Author:
Yijia Sun; Apurva Samudra; Nikolaos V. Sahinidis
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.12 pp. 4925-4935
ISSN:
1520-5045
Subject:
biodegradability; cooling systems; electronic equipment; electronics; heat transfer; lethal concentration 50; models; prediction; process design; risk
Abstract:
... Miniaturization technologies have led to a dramatic increase in electronics cooling requirements, which traditional cooling approaches are unable to fulfill. Thus, it is necessary to identify working fluids that enhance cooling performance and meet environmental and safety requirements. In this work, we develop a computer-aided molecular design approach to identify working fluids that have better ...
DOI:
10.1021/acs.iecr.8b06378

20. 110th Anniversary: Distribution Coefficients of Furfural and 5-Hydroxymethylfurfural in Hydrophobic Deep Eutectic Solvent + Water Systems: Experiments and Perturbed-Chain Statistical Associating Fluid Theory Predictions

Author:
Carin H. J. T. Dietz; Fausto Gallucci; Martin van Sint Annaland; Christoph Held; Maaike C. Kroon
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.10 pp. 4240-4247
ISSN:
1520-5045
Subject:
aqueous solutions; bioplastics; biorefining; furfural; hydrophobicity; hydroxymethylfurfural; prediction; process design; renewable resources; solvents; sugars; toluene
Abstract:
... Furfural (FF) and 5-hydroxymethylfurfural (HMF) are intermediates for many products, such as monomers for bioplastics, and can be obtained from various renewable resources. The isolation of these sugar-derived molecules from aqueous solutions is one of the main challenges in biorefinery processes. In the work described in this paper, the separation of FF and HMF from aqueous phases is carried out ...
DOI:
10.1021/acs.iecr.8b06234

21. 110th Anniversary: Dry Reforming of Methane over Ni- and Sr-Substituted Lanthanum Zirconate Pyrochlore Catalysts: Effect of Ni Loading

Author:
Srikar Bhattar; Aiswarya Krishnakumar; Swarom Kanitkar; Ashraf Abedin; Dushyant Shekhawat; Daniel J. Haynes; James J. Spivey
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.42 pp. 19386-19396
ISSN:
1520-5045
Subject:
X-ray diffraction; carbon; catalysts; lanthanum; methane; nickel; nickel oxide; process design; streams; thermal stability; zirconium
Abstract:
... Pyrochlores are thermally stable materials that can be doped with a metal to produce active catalyst for dry reforming of methane (DRM). La₁.₉₅Sr₀.₀₅Zr₁.₉₀₄Ni₀.₀₉₆O₇–d (LSNZ1) and La₁.₉₅Sr₀.₀₅Zr₁.₄₄Ni₀.₅₆O₇–d (LSNZ6), with 1 and 6 wt % Ni loading at Zr site, respectively, were investigated for DRM. XRD of fresh catalysts confirmed the formation of pyrochlore structure. Also, the presence of the La ...
DOI:
10.1021/acs.iecr.9b02434

22. 110th Anniversary: Effect of System Size on Boundary-Driven Contact Charging in Particulate Flows

Author:
Jari Kolehmainen; Lise Ceresiat; Ali Ozel; Sankaran Sundaresan
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.38 pp. 17980-17990
ISSN:
1520-5045
Subject:
equations; fluidized beds; models; process design
Abstract:
... We study wall-induced triboelectrification of particles by analyzing a continuum model for charge transport. We first consider an idealized case of homogeneous distribution of granular materials in a periodic channel and show that the domain-average charge per particle is inversely proportional to the channel size. We then perform three-dimensional simulations of fluidized beds in quasi-periodic c ...
DOI:
10.1021/acs.iecr.9b03437

23. 110th Anniversary: Effects of Alcohol Concentration on the Reactions of Ethyl Acetate and Diethyl Malonate in Hot Compressed Water–Alcohol Mixed Solvents

Author:
Makoto Akizuki; Kohki Ito; Yoshito Oshima
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.29 pp. 13076-13084
ISSN:
1520-5045
Subject:
acetic acid; catalytic activity; dissociation; ethanol; ethyl acetate; hydrolysis; methanol; process design; protons; solvents
Abstract:
... The effects of the alcohol concentration of a hot compressed water–alcohol (methanol or ethanol) mixture on acid-catalyzed ester reactions were investigated. In the water and water–methanol mixture, ethyl acetate reactions were promoted by the autocatalytic effect of the produced acetic acid, while diethyl malonate reactions were promoted by the catalytic effect of the solvent molecules. The kinet ...
DOI:
10.1021/acs.iecr.9b02301

24. 110th Anniversary: Engineered Ribonucleic Acid Control Elements as Biosensors for in Vitro Diagnostics

Author:
Alan F. Rodríguez-Serrano; I-Ming Hsing
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.37 pp. 17174-17181
ISSN:
1520-5045
Subject:
RNA; biosensors; chemical species; diagnostic techniques; gene expression; gene regulatory networks; oligonucleotides; process control; process design; proteins; signal transduction; synthetic biology
Abstract:
... Regulatory mechanisms in biological systems are analogous to process control exerted in many chemical and biomolecular engineering processes. Ribonucleic acid (RNA) has been identified as a ubiquitous element for tight regulation of cellular activities, such as gene expression, given its high tunability of structures and functions. Enhanced understanding of interactions of RNA with nucleic acids, ...
DOI:
10.1021/acs.iecr.9b03963

25. 110th Anniversary: Ensemble-Based Machine Learning for Industrial Fermenter Classification and Foaming Control

Author:
Aman Agarwal; Y. A. Liu; Christopher McDowell
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.36 pp. 16719-16729
ISSN:
1520-5045
Subject:
adverse effects; artificial intelligence; biochemical pathways; bioprocessing; data collection; differential pressure; fermentation; fermenters; foaming; foams; geometry; microbial contamination; microorganisms; mixing; nonlinear models; prediction; process design; regression analysis
Abstract:
... In the industrial sector, foaming remains an inevitable side effect of mixing, shearing, powder incorporation, and the metabolic activities of microorganisms in a bioprocess. Excessive foaming can interfere with the mixing of reactants and lead to problems such as decreased effective reactor volume, microbial contamination, product loss, and increased reaction time. Physical modeling of foaming is ...
DOI:
10.1021/acs.iecr.9b02424

26. 110th Anniversary: Evaluation of CO₂-Based and CO₂-Free Synthetic Fuel Systems Using a Net-Zero-CO₂-Emission Framework

Author:
Daniel Sutter; Mijndert van der Spek; Marco Mazzotti
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.43 pp. 19958-19972
ISSN:
1520-5045
Subject:
air; ammonia; carbon; carbon dioxide; circular economy; climate change; electricity; electrolysis; exergy; hydrogen; methane; methanol; nitrogen; primary energy; process design; renewable electricity; renewable energy sources; storage time; synthetic fuels; transportation
Abstract:
... This work analyzes quantitatively the energy and exergy efficiencies of storing intermittent renewable energy in chemical fuels. In the future energy system, chemical fuels provide a very effective approach for long-term storage and long-distance transport of renewable electricity. For the sake of completeness and simplicity, we consider both carbon-free fuels, namely, hydrogen and ammonia, and ca ...
DOI:
10.1021/acs.iecr.9b00880

27. 110th Anniversary: Fabrication of Inverted Pd@TiO₂ Nanostructures for Selective Catalysis

Author:
Bingwen Wang; Jing Zhang; Laura Paz Herrera; J. Will Medlin; Eranda Nikolla
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.10 pp. 4032-4041
ISSN:
1520-5045
Subject:
active sites; ambient temperature; catalytic activity; encapsulation; heat treatment; nanomaterials; porosity; process design; titanium dioxide
Abstract:
... Inverted catalytic systems, in which metal oxide films are deposited on top of metallic substrates, present significant potential for catalysis, because of the ability to enhance the metal/metal oxide interface. Most of the reported methods for synthesizing these structures involve thermal treatment of the oxide film, which presents a significant challenge for reducible metal oxides, because of st ...
DOI:
10.1021/acs.iecr.8b05896

28. 110th Anniversary: Fischer–Tropsch Synthesis for Multiphase Product Recovery through Reactive Distillation

Author:
Naien He; Yanyan Hu; Cornelius M. Masuku; Lorenz T. Biegler
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.29 pp. 13249-13259
ISSN:
1520-5045
Subject:
Fischer-Tropsch reaction; biomass; byproducts; coal; distillation; gasoline; liquids; natural gas; oil fields; process design; shale; simulation models; slurries; solubility; synthesis gas
Abstract:
... The Fischer–Tropsch (FT) reaction is an important bridge between inorganic synthesis gas and transportation fuels such as diesel and gasoline. It is receiving even more attention today as a technology to produce transportation fuels from shale/natural gas, coal, biomass, and also from stranded gas produced from remote oil fields. Reactive distillation (RD) is a proven reactive separation method th ...
DOI:
10.1021/acs.iecr.9b02352

29. 110th Anniversary: From Solubility Parameters to Predictive Equation-of-State Modeling

Author:
Costas Panayiotou; Ioannis Zuburtikudis; Vassily Hatzimanikatis
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.28 pp. 12787-12800
ISSN:
1520-5045
Subject:
databases; hydrogen bonding; prediction; process design; quantitative structure-activity relationships; quantum mechanics; solubility; solvation; solvation energy; thermodynamic models; thermodynamics
Abstract:
... A simple predictive molecular thermodynamic model for bulk phases and interfaces is presented. The model combines features of the quantitative structure–property relationships (QSPR) approach, the equation-of-state approach, and quantum-chemical calculations. Simple formalisms on a sound thermodynamic basis have been developed for the main thermodynamic quantities of pure components and mixtures w ...
DOI:
10.1021/acs.iecr.9b02908

30. 110th Anniversary: Generalized Singular Value Decomposition Reduced-Order Observers for Linear Time-Invariant Systems with Noisy Measurements

Author:
Gbolahan P. Dada; Antonios Armaou
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.51 pp. 23201-23210
ISSN:
1520-5045
Subject:
Markov chain; mixing; models; process control; process design; sensors (equipment)
Abstract:
... The use of observers for improvement of output feedback process control is important for achieving accuracy and processing efficiency, especially for large multivariate process systems. Reduced-order observers are particularly advantageous for reducing computational complexity of estimating state variables. The processes considered herein can be modeled as a linear time-invariant continuous system ...
DOI:
10.1021/acs.iecr.9b04030

31. 110th Anniversary: High Performance Carbon Molecular Sieve Membrane Resistance to Aggressive Feed Stream Contaminants

Author:
Rachana Kumar; William J. Koros
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.16 pp. 6740-6746
ISSN:
1520-5045
Subject:
air; aircraft; carbon; chronic exposure; fuels; humidity; nitrogen; oxygen; ozone; process design; temperature
Abstract:
... Carbon molecular sieve (CMS) membranes show high performance for various critical gas pair separations with excellent scalable manufacturability. For practical applications it is important to evaluate such membranes for resistance to contaminants possibly present in feed streams related to an onboard inert gas generation system (OBIGGS) for aerospace applications. Here we report the performance of ...
DOI:
10.1021/acs.iecr.9b00899

32. 110th Anniversary: High-Molecular-Weight Chitin and Cellulose Hydrogels from Biomass in Ionic Liquids without Chemical Crosslinking

Author:
Paula Berton; Xiaoping Shen; Robin D. Rogers; Julia L. Shamshina
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.43 pp. 19862-19876
ISSN:
1520-5045
Subject:
Populus; acetates; aerogels; air drying; antioxidant activity; biomass; biopolymers; cellulose; chitin; compressibility; crosslinking; gelation; hydrogels; ionic liquids; porosity; process design; shrimp shells; tensile strength; washing; water uptake; water vapor; wood
Abstract:
... Cellulose, chitin, and composite 3D hydrogels and membranes were fabricated without any chemical modification from high-molecular-weight chitin and cellulose-rich material (CRM) extracted from shrimp shell or poplar wood, respectively, using the ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate ([C₂mim][OAc]). The hydrogels were prepared by redissolution of the extracted biopolymers in the sam ...
DOI:
10.1021/acs.iecr.9b03078

33. 110th Anniversary: Indirect Partial Oxidation of Methane Using a Counter-Current Moving-Bed Chemical Looping Configuration for Enhanced Syngas Production

Author:
Deven S. Baser; Sourabh G. Nadgouda; Anuj S. Joshi; L.-S. Fan
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.36 pp. 16407-16416
ISSN:
1520-5045
Subject:
Fischer-Tropsch reaction; alkenes; carbon dioxide; computer software; fuels; iron; liquids; methane; methanol; oxidation; process design; steam; synthesis gas; temperature; thermodynamics; titanium
Abstract:
... Syngas is a valuable chemical intermediate for producing commodity chemicals, such as olefins, methanol, liquid fuels, etc. The chemical looping route for syngas production presents an attractive alternative to state-of-the-art technology, such as partial oxidation, autothermal reforming, and steam methane reforming. Out of the several chemical looping configurations, the co-current moving-bed rea ...
DOI:
10.1021/acs.iecr.9b02520

34. 110th Anniversary: Industrial Process Water Treatment and Reuse Enabled by Selective Ion Exchange Materials

Author:
Brandon W. Heimer; Scott M. Paap; Koroush Sasan; Patrick V. Brady; Tina M. Nenoff
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.32 pp. 14873-14879
ISSN:
1520-5045
Subject:
Monte Carlo method; binding capacity; economic analysis; energy; fouling; hydrotalcite; industrial applications; ion exchange; ion exchange capacity; models; petroleum; prices; process design; raw materials; research and development; silica; sludge; water treatment
Abstract:
... Silica (SiO₂) is ubiquitous in petroleum produced waters; removal and recovery of silica reduces fouling when upcycling these waters for industrial applications. Herein, we report the relevant properties of a selective silica recovery material, calcined hydrotalcite (HTC), as well as the design and economic analysis for its use in an ion exchange process to remove silica from produced water. This ...
DOI:
10.1021/acs.iecr.9b02200

35. 110th Anniversary: Influence of Solvents on Biocrude from Hydrothermal Liquefaction of Soybean Oil, Soy Protein, Cellulose, Xylose, and Lignin, and Their Quinary Mixture

Author:
Jianwen Lu; Zhidan Liu; Yuanhui Zhang; Phillip E. Savage
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 13971-13976
ISSN:
1520-5045
Subject:
acetone; biofuels; biomass; carbon; cellulose; feedstocks; heat; hydrogen; hydrothermal liquefaction; lignin; methylene chloride; models; process design; solvents; soy protein; soybean oil; xylose
Abstract:
... We perform hydrothermal liquefaction (HTL) on five materials that model the major biochemical components in a wide array of biomass feedstocks: soybean oil, soy protein, cellulose, xylose, and lignin. The influence of different solvents (dichloromethane, acetone, methyl tert-butyl ether (MTBE)) on the yield, and the elemental content of the biocrude recovered from isothermal and fast HTL of these ...
DOI:
10.1021/acs.iecr.9b02442

36. 110th Anniversary: Ionic Liquid Promoted CO₂ Hydrogenation to Free Formic Acid over Pd/C

Author:
Yunyan Wu; Yanfei Zhao; Huan Wang; Bo Yu; Xiaoxiao Yu; Hongye Zhang; Zhimin Liu
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.16 pp. 6333-6339
ISSN:
1520-5045
Subject:
acetates; carbon dioxide; formic acid; hydrogenation; ionic liquids; nanoparticles; process design; thermodynamics
Abstract:
... Direct hydrogenation of CO₂ into formic acid is an atom-economic reaction, but it is thermodynamically limited, and the production of free formic acid is challenging. Herein, we report a protocol of CO₂ hydrogenation to free formic acid over Pd/C in ionic liquid (e.g., 1-butyl-3-methylimidazolium acetate, [Bmim][OAc]) without base under mild conditions. Detailed study indicates that [Bmim][OAc] pl ...
DOI:
10.1021/acs.iecr.9b00654

37. 110th Anniversary: Kinetic Model for Syngas Chemical Looping Combustion Using a Nickel-Based Highly Performing Fluidizable Oxygen Carrier

Author:
Imtiaz Ahmed; Hugo de Lasa
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.8 pp. 2801-2811
ISSN:
1520-5045
Subject:
biomass; carbon dioxide; carbon monoxide; combustion; confidence interval; fluidized beds; fuels; gasification; growth models; hydrogen; kinetics; methane; nickel; oxygen; process design; synthesis gas; temperature
Abstract:
... The study reports a kinetic model for a nickel-based highly performing oxygen carrier (HPOC). This HPOC is free of nickel aluminates and can perform very efficiently at lower temperatures (i.e., 550–650 °C). In this study, a kinetic model is proposed to predict syngas chemical looping combustion (CLC) using an HPOC. The syngas used in this study emulates the syngas that can be derived from biomass ...
DOI:
10.1021/acs.iecr.8b05880

38. 110th Anniversary: Kinetics and X-ray Absorption Spectroscopy in Methane Total Oxidation over Alumina-Supported Pt, Pd, and Ag–Pd Catalysts

Author:
Garam Lee; Weiqing Zheng; Konstantinos A. Goulas; Ivan C. Lee; Dionisios G. Vlachos
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.38 pp. 17718-17726
ISSN:
1520-5045
Subject:
X-ray absorption spectroscopy; X-ray photoelectron spectroscopy; catalysts; hysteresis; methane; oxidation; oxygen; palladium; platinum; process design; silver
Abstract:
... The kinetics of methane oxidation over Pt/Al₂O₃, Pd/Al₂O₃, and Ag–Pd/Al₂O₃ is investigated as a function of the O₂/CH₄ ratio. We show that as the oxygen fraction increases from low values, three distinct kinetic regimes exist that are nearly first order, negative order, and zero order with respect to the oxygen concentration. At O₂/CH₄ < 3, Pd and Ag–Pd are superior catalysts, whereas at higher ox ...
DOI:
10.1021/acs.iecr.9b03094

39. 110th Anniversary: Knowledge-Based Recipe Management for Production Processes

Author:
Edrisi Muñoz; Elisabet Capón-García; Luis Puigjaner
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.43 pp. 19985-19996
ISSN:
1520-5045
Subject:
automation; business enterprises; data collection; decision making; decision support systems; industry; models; planning; process design; recipes
Abstract:
... The advent of digitalization has raised new opportunities for automated decision-making and integration of production processes. However, the effective and timely use of decision-making tools requires robust and reliable data acquisition systems to extract model relevant parameters and to drive the proposed enterprise wide coordination strategies. This work aims to create a knowledge-based platfor ...
DOI:
10.1021/acs.iecr.9b02366

40. 110th Anniversary: Liquid Separation Membranes Based on Nanowire Substrates for Organic Solvent Nanofiltration and Membrane Distillation

Author:
John Chau; Dhananjay Singh; Kamalesh K. Sirkar
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 14350-14356
ISSN:
1520-5045
Subject:
aluminum oxide; ceramics; coatings; contact angle; distillation; dyes; ethylene; hydrophobicity; liquids; methanol; moieties; nanofiltration; nanowires; oils; polyamides; polymerization; porosity; process design; silicone; solvents; temperature; water vapor
Abstract:
... Ceramic nanowire-based flat porous membranes allow development of organic–inorganic membranes. Two types of surface modifications of alumina nanowire-based membranes were implemented. The first one involved reaction of hydroxyl groups on an alumina surface with silicone oil at a higher temperature, developing a grafted coating yielding a nonporous or a porous hydrophobic membrane. The hydrophobici ...
DOI:
10.1021/acs.iecr.9b02292

41. 110th Anniversary: MILD Combustion of Liquid Hydrocarbon–Alcohol Blends

Author:
Marco Derudi; Renato Rota
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.32 pp. 15061-15068
ISSN:
1520-5045
Subject:
biofuels; carbon monoxide; combustion; emissions; fossil fuels; furnaces; hydrocarbons; liquids; nitrogen oxides; pollutants; process design; temperature; turbulent flow
Abstract:
... Among the various low NOx combustion technologies, MILD combustion combines low pollutant emissions, combustion stability and efficiency, fuel flexibility, and noise reduction through a high preheating of the combustion chamber coupled with a massive exhaust gas recirculation at high turbulence level. In this work, the sustainability of MILD combustion for liquid hydrocarbon–alcohol blends (as pos ...
DOI:
10.1021/acs.iecr.9b02374

42. 110th Anniversary: Marinization of Multiphase Reactors through the Prism of Chemical Engineers

Author:
Amir Motamed Dashliborun; Jian Zhang; Seyed Mohammad Taghavi; Faïçal Larachi
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.8 pp. 2607-2630
ISSN:
1520-5045
Subject:
chemical engineering; fluidized beds; heat transfer; hydrocarbons; hydrodynamics; mixing; oil and gas industry; oils; prediction; process design; scrubbers; spinning
Abstract:
... Offshore oil/gas industries have been employing multiphase scrubbers and reactors to treat hydrocarbons extracted from undersea reservoirs. Operation of floating scrubbers and reactors on nonstationary platforms undergoes remarkable technical and operational challenges stemming from the complex sea states. Indeed, ship tilts and motions affect the reactor hydrodynamics and consequently its chemica ...
DOI:
10.1021/acs.iecr.8b05695

43. 110th Anniversary: Mesoscale Complexity—To Dodge or To Confront?

Author:
Wen Lai Huang; Jinghai Li; Xiaosong Chen
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.28 pp. 12478-12484
ISSN:
1520-5045
Subject:
chemistry; physical phenomena; process design; research methods
Abstract:
... This commentary briefly addresses the complexity at mesoscales of different levels, describes the limitations of traditional approaches, and introduces the preliminary principle of the potential mesoscience. It is believed that mesoscale complexity arises from collective effects, and emerges within mesoregimes. Such complexity makes the averaging approaches (based on the assumption of homogeneity) ...
DOI:
10.1021/acs.iecr.9b01655

44. 110th Anniversary: Microkinetic Modeling of the Vapor Phase Upgrading of Biomass-Derived Oxygenates

Author:
Lauren D. Dellon; Chun-Yi Sung; David J. Robichaud; Linda J. Broadbelt
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.33 pp. 15173-15189
ISSN:
1520-5045
Subject:
acetic acid; acetoacetic acid; acetone; alkenes; aromatic compounds; automation; biofuels; biomass; catalytic activity; condensation reactions; cracking; decarboxylation; enols; mechanistic models; process design; pyrolysis; thermodynamics; vapors
Abstract:
... Bio-oil produced from fast pyrolysis of biomass is a complex mixture of more than 200 compounds, including oxygenates and acids. As these species are highly undesirable in fuels, catalytic upgrading of biomass pyrolysis product vapors, also known as catalytic fast pyrolysis, is performed to upgrade the vapors to valuable fuels and chemicals. This work presents a detailed microkinetic model, compos ...
DOI:
10.1021/acs.iecr.9b03242

45. 110th Anniversary: Model-Guided Preparation of Copolymer Sequence Distributions through Programmed Semibatch RAFT Mini-Emulsion Styrene/Butyl Acrylate Copolymerization

Author:
Jie Jiang; Wen-Jun Wang; Bo-Geng Li; Shiping Zhu
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.41 pp. 18997-19008
ISSN:
1520-5045
Subject:
composite polymers; copolymerization; kinetics; microstructure; models; molecular weight; nanoemulsions; process design; styrene
Abstract:
... The tactics of targeting copolymer composition (CC) and molecular weight (MW) via semibatch controlled radical polymerization (CRP) have been extensively studied. However, little effort is made to target copolymer sequence length (CSL) and its triad sequence, which are among the key microstructures determining material properties of the copolymers. This work presents a method to design and synthes ...
DOI:
10.1021/acs.iecr.9b03414

46. 110th Anniversary: Modeling National Power Flow Systems through the Energy Hub Approach

Author:
Oswaldo Andrés-Martínez; Luis Fabián Fuentes-Cortés; Antonio Flores-Tlacuahuac
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.31 pp. 14252-14266
ISSN:
1520-5045
Subject:
coal; diesel fuel; electricity; energy; exports; fuel oils; geothermal energy; imports; models; natural gas; planning; process design; sustainable technology; uranium; wind power; Mexico
Abstract:
... In this work, a large-scale modeling framework for the Mexican electricity system is developed based on the energy hub concept. The hub consists of nine smaller hubs, each one describing a control region of the country. The interface between energy carriers and loads is modeled as the product of coupling matrices. Natural gas, fuel oil, diesel, uranium, and coal were regarded as inputs, which are ...
DOI:
10.1021/acs.iecr.9b02469

47. 110th Anniversary: Modeling and Optimization of a Butyl Glycol Ether Plant Based on an Experimental Kinetic Study

Author:
Seonghwan Choi; Junkyo Jeong; Chan Yeong Yun; Sora Hwang; Jay H. Lee
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.29 pp. 13260-13273
ISSN:
1520-5045
Subject:
case studies; diethylene glycol; econometric models; economic feasibility; manufacturing; process design; reaction kinetics; simulation models; triethylene glycol
Abstract:
... A simulation model is developed to estimate the production of four products (butyl monoethylene glycol ether, butyl diethylene glycol ether, butyl triethylene glycol ether, and butyl polyethylene glycol ether) in a glycol ether plant and to predict the amount of utilities consumed by the manufacturing units. To ensure the broad applicability of the developed model, a reaction kinetics model is req ...
DOI:
10.1021/acs.iecr.9b02490

48. 110th Anniversary: Molecular Structure Effects on Mass Transfer of C₁₀ Hydrocarbons in BPL Activated Carbon

Author:
Trenton M. Tovar; John J. Mahle; Craig K. Knox; M. Douglas LeVan
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.33 pp. 15271-15279
ISSN:
1520-5045
Subject:
activated carbon; adsorbents; air; alpha-pinene; diffusivity; filters; limonene; mass transfer; mathematical models; moieties; perfluorocarbons; process design; quantitative structure-activity relationships; sorption isotherms; toxic substances
Abstract:
... Adsorbent filters often use activated carbons to remove a wide range of toxic chemicals from air. It is of interest to know if filter performance for these compounds can be diffusion limited as a result of molecular structure effects from bulky functional groups. A concentration-swing frequency response (CSFR) technique was used to measure mass transfer rates of various C₁₀ hydrocarbons to explore ...
DOI:
10.1021/acs.iecr.9b02377

49. 110th Anniversary: Molecular Thermodynamics: An Endless Frontier

Author:
Jianzhong Wu; John M. Prausnitz
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.23 pp. 9707-9708
ISSN:
1520-5045
Subject:
information science; mechanics; physicochemical properties; prediction; process design; thermodynamics
Abstract:
... Empowered by developments in statistical mechanics and information science, molecular thermodynamics continues to play a pivotal role in engineering design of chemical products and industrial processes by providing better understanding and more reliable prediction of the physicochemical properties and phase behavior of chemical systems. ...
DOI:
10.1021/acs.iecr.9b01597

50. 110th Anniversary: Nanoparticle Mediated Drug Delivery for the Treatment of Alzheimer’s Disease: Crossing the Blood–Brain Barrier

Author:
Marissa E. Wechsler; Julia E. Vela Ramirez; Nicholas A. Peppas
Source:
Industrial & engineering chemistry process design and development 2019 v.58 no.33 pp. 15079-15087
ISSN:
1520-5045
Subject:
Alzheimer disease; amyloid; bioavailability; blood-brain barrier; brain; cognitive disorders; dendrimers; drugs; nanocarriers; nanoparticles; neurodegenerative diseases; neurons; neurotransmitters; pharmacodynamics; pharmacokinetics; process design; solubility; surveys
Abstract:
... Alzheimer’s disease is an irreversible neurodegenerative disorder affecting approximately 6 million Americans, 90% of which are over the age of 65. The hallmarks of the disease are represented by amyloid plaques and neurofibrillary tangles. While the neuronal characteristics of Alzheimer’s disease are well-known, current treatments only provide temporary relief of the disease symptoms. Many of the ...
DOI:
10.1021/acs.iecr.9b02196