Simulation of catalyst fouling at the particle and reactor levels

Zhang, L.; Seaton, Nigel A.

doi:10.1016/0009-2509(95)00388-6

Cited by 32 publications

(12 citation statements)

References 25 publications

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“…Since pore fouling is only partially responsible for deactivation (Vide Supra), these residues must also provide additional contributors to deactivation, most likely through active site poisoning. [45][46][47][48][49][50] Poison molecules can be the reactant and product, or by-products and impurities present in the feed. In each of these cases, poisoning often relates to the amount of reactant processed, and like fouling, thus often correlates to substrate turnover, in agreement to our kinetic data.…”

Section: Resultsmentioning

confidence: 99%

Continuous Production of Hydrogen from Formic Acid Decomposition Over Heterogeneous Nanoparticle Catalysts: From Batch to Continuous Flow

2019

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We investigate the continuous generation of hydrogen via the low temperature (< 110 °C), additive-free dehydrogenation of formic acid over heterogeneous Pd/C. Through a combination of kinetic (batch and continuous), spectroscopic and mechanistic studies, we develop structure-activity-lifetime relationships for this process, and in doing so reveal that a combination of pore fouling and poisoning by formate ions result in deactivation of the catalyst during continuous operation. Although these factors result in extensive deactivation in Plug Flow mode, promising results can be obtained by minimizing the steady state concentration of formic acid by operating in a Continuous Stirred Tank reactor. In doing so, continuous operation of the system without loss of activity for over 2500 turnovers is achieved, at mild conditions and in the absence of stoichiometric additives.

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Section: Resultsmentioning

confidence: 99%

Continuous Production of Hydrogen from Formic Acid Decomposition Over Heterogeneous Nanoparticle Catalysts: From Batch to Continuous Flow

2019

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“…Before presenting and discussing the results, we should point out that the percolation models of reaction and transport in porous medium were proposed21, 22 and have also been used by several groups 23–27. The difference between our work and the previous ones is that the reaction kinetics in the present problem is strongly nonlinear which makes the numerical method more complicated and also that we used the orthogonal collocation method to solve diffusion‐reaction equations.…”

Section: Monte Carlo Simulationmentioning

confidence: 97%

Analysis of the impact of imatinib mesylate therapy on the prognosis of patients with Philadelphia chromosome–positive chronic myelogenous leukemia treated with interferon‐α regimens for early chronic phase

Kantarjian

O’Brien

Cortes

et al. 2003

Cancer

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γ‐Alumina is used as a catalyst for converting methanol to dimethyl ether. The process takes place in a packed or fluidized bed reactor consisting of microporous particles with distributed pore sizes and interconnectivities. The efficiency of the process is, however, significantly affected by the pore space structure of the particles. All the previous attempts for modeling this phenomenon have used continuum formulation of the problem based on classical equations of mass transport and reaction, without any regards for the effect of pore space morphology. In this article, we study the catalyst's performance by developing a network model for the pore space, with distributed pore sizes and interconnectivities. The network model is used to study the effect of several parameters such as pore space morphology, concentration, and temperature on catalyst's effectiveness factor. The results will be used for reactor simulations. © 2008 American Institute of Chemical Engineers AIChE J, 2009

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“…The introduction of the Hoshen‐Kopelman (HK) algorithm was an important breakthrough in the analysis of cluster size statistics in percolation theory. Although the algorithm was initially applied in statistical physics, nowadays it is used in many diverse fields [ Zhang and Seaton , 1996; Moreira and Barrufetb , 1996; Eddi et al , 1996; Kinney et al , 1994; Hamimov et al , 1989]. The algorithm has been used in ordered lattices with only links, only nodes, or both links and nodes [ Hoshen et al , 1979; Campos et al , 1997; Hoshen , 1980].…”

Section: Napl Clustersmentioning

confidence: 99%

Impact of wettability alteration on two‐phase flow characteristics of sandstones: A quasi‐static description

Al-Futaisi

Patzek

2003

Water Resources Research

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[1] We describe a two-phase pore network simulator of drainage and imbibition which integrates a realistic representation of pore connectivity and morphology, a quasi-static description of fluid displacement mechanisms, and a sound representation of the wetting properties of a sedimentary rock and of their alteration. The simulator works with 3-D disordered networks of cylindrical ducts with triangular, square, and circular cross sections obtained directly from the analysis of microfocused computed tomography (CT) images of rock samples. All pore-level displacement mechanisms (piston type, snap off, and cooperative pore body filling) are considered with arbitrary receding and advancing contact angles. Bond invasion percolation description is used in primary drainage, while bond site invasion percolation with ordinary percolation on a dual network and compact cluster growth is used in secondary imbibition. In this paper, we resolve how to calculate the relative permeability of nonaqueous phase liquid (NAPL) in the quasi-static approximation of imbibition and illustrate spatial distribution of the clusters of trapped NAPL using our generalization to disordered networks of the Hoshen-Kopelman clusterlabeling algorithm. To understand the impact of wettability alteration on the capillary pressure and relative permeability functions, we perform a series of drainage and imbibition simulations by changing the range of advancing contact angles. Our study indicates that in imbibition, transport properties of a permeable solid are quite sensitive to the hysteresis between the receding and advancing contact angle. This sensitivity reflects competition among the different displacement mechanisms, which shapes the relative permeabilities, capillary pressures, and the distribution of the trapped NAPL.

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Simulation of catalyst fouling at the particle and reactor levels

Cited by 32 publications

References 25 publications

Continuous Production of Hydrogen from Formic Acid Decomposition Over Heterogeneous Nanoparticle Catalysts: From Batch to Continuous Flow

Continuous Production of Hydrogen from Formic Acid Decomposition Over Heterogeneous Nanoparticle Catalysts: From Batch to Continuous Flow

Analysis of the impact of imatinib mesylate therapy on the prognosis of patients with Philadelphia chromosome–positive chronic myelogenous leukemia treated with interferon‐α regimens for early chronic phase

Impact of wettability alteration on two‐phase flow characteristics of sandstones: A quasi‐static description

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