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Residence Time Distribution for Tubular Reactors - new

L. R. de Souza Jr.[1], L. Lorenz[1]
[1]Universidade Federal do Paraná, Curitiba, Paraná, Brazil

In the core of Chemical Engineering is the reactor design that includes most of all scientific disciplines. The reactors, in general, are treated ideally. Unfortunately, it is observed in the real world a very different behavior from that expected. Thus, to characterize nonideal reactors is used, among others, residence time distribution function E(t). The aim of this present work is to ...

Development of a User Interface for Design of SO2 Oxidation Fixed-Bed Reactors

A. Nagaraj [1], P. L. Mills [1],
[1] Texas A&M University - Kingsville, Kingsville, TX, USA

H2SO4 is a very important chemical commodity, and indeed, a nation’s H2SO4 production has been a reasonably good indicator of its industrial strength for the last century or so1,2. Nearly 350 MM tons of H2SO4 was produced in 20143.The demand for H2SO4 in United States exceeds the supply and hence to increase production, recycling and innovative clean technologies must be explored. From ...

COMSOL Multiphysics® Simulations of Graphene Chemical Vapor Deposition (CVD) Growth - new

K. M. Al-Shurman[1], H. Naseem[1]
[1]The Institute for Nanoscience & Engineering, University of Arkansas, Fayetteville, AR, USA

Chemical vapor deposition (CVD) is a promising effective method for synthesis of graphene films. CVD graphene film is obtained from hydrocarbon species such as CH4 through complex catalytic chemical reactions on the surface of the catalyst. Therefore, studying the catalytic reaction kinetics is essential process for understanding the thermal decomposition rate of methane on catalyst surface as ...

Models for Simulation Based Selection of 3D Multilayered Graphene Biosensors

E. Lacatus [1], G. C. Alecu [1], A. Tudor [1],
[1] Politehnica University of Bucharest, București, Romania

At the forefront of a new generation of sensors graphene and graphene composite materials are intensively studied for medical and biosensing applications. The outstanding electrical, mechanical and quantum properties of graphene make them a promising material solution to overlap the existing gap between biological and non-biological systems into a continuum like-viscoelastic integrated model. ...

A Wall-Cooled Fixed-Bed Reactor Model for Gas-Phase Fischer-Tropsch Synthesis

A. Nanduri [1], P. L. Mills [1],
[1] Department of Chemical and Natural Gas Engineering, Texas A&M University - Kingsville, Kingsville, TX, USA

In the early 1920’s, Gas-To-Liquids (GTL) and Coal-To-Liquids (CTL) technologies were developed to account for the depleting crude oil resources [1]. During this period, Franz Fischer and Hans Tropsch developed a process to convert synthesis gas (syn gas), derived from coal gasification, to a wide range of high value-added products. This process later came to be known as Fischer-Tropsch (F-T) ...

Ammonia Removal From Water by a Liquid-Liquid Membrane Contactor Under a Closed Loop Regime

E. Licon[1], S. Casas[1], A. Alcaraz[1], J.L. Cortina[1], C. Valderrama[1]
[1]Universitat Politécnica de Catalunya, Barcelona, Spain

Ammonia separation from water by membrane contactor was simulated on transient state and compared with experimental data. Aqueous low concentrated solution of ammonium with high pH has been pumped inside the hydrophobic hollow fibers, acid solution in the outside part. The system is in closed loop configuration. In order to simulate the separation process, equations were developed considering ...

Comparison of Diffusion Flux Models for Fischer-Tropsch Synthesis

A. Nanduri [1], P. L. Mills [1],
[1] Department of Chemical and Natural Gas Engineering, Texas A&M University - Kingsville, Kingsville, TX, USA

The Fischer-Tropsch Synthesis (FTS) is a highly exothermic condensation polymerization reaction of syngas (CO+H2) in the presence of Fe/Co/Ru-based catalysts to produce a wide range of paraffins, olefins and oxygenates, the latter of which is often called syncrude. Multi-Tubular Fixed Bed Reactors (MTFBR) and Slurry Bubble Column reactors (SBCR) are widely employed for FTS processes [1]. To ...

An Overview of Impellers, Velocity Profile and Reactor Design - new

P. Patel[1], P. Vaidya[1], G. Singh[2]
[1]Indian Institute of Technology Bombay, Mumbai, Maharashtra, India
[2]Indian Oil Corporation Limited, Faridabad, Haryana, India

This paper presents a simulation approach to develop a model for understanding the mixing phenomenon in a stirred vessel. The mixing in the vessel is important for effective chemical reaction, heat transfer, mass transfer and phase homogeneity. In some cases, it is very difficult to obtain experimental information and it takes a long time to collect the data. Such problems can be solved using ...

Lennard-Jones Potential Determination via the Time-Dependent Schrödinger Equation

D. Nguemalieu. Kouetcha [1], H. Ramezani [1][2], N. Cohaut [1],
[1] Université d’ Orléans, ICMN, UMR CNRS, Orléans France
[2] Ecole Polytechnique de l' Université d’ Orléans, Orléans, France

The accurate atomic potential determination is an essential task in the molecular simulations, e.g. Grand Canonical Monte Carlo (GCMC). The ab initio simulations using the quantum mechanics would of great interest in the computational physical chemistry. The numerical simulation of the adsorption phenomenon requires knowing the interactions parameters between the atoms that make up the systems ...

Modelling Heat and Mass Transfer in Microreactor for Methanol to Hydrocarbons

P. A. Delou [1,3], V. Degirmenci [2,3],
[1] Universidade Federal do Rio de Janeiro, Rio de Janeiro, RJ, Brazil
[2] University of Warwick, Coventry, United Kingdom
[3] Queen’s University Belfast, Belfast, United Kingdom

Recently, increasing availability of natural gas, due to the shale gas, raises the attention to the conversion of methane. Methanol-to-Hydrocarbons reaction (MTH) plays an important role in this route where methanol synthesized through syngas is converted into hydrocarbons, such as Gasoline. In this study heat and mass transfer for MTH reaction over ZSM-5 as catalyst for an specific microreactor ...

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