Catalysis and Reaction Engineering Commons^™

An Overview Of The Development Of Cement-Based Batteries For The Cathodic Protection Of Embedded Steel In Concrete, Aimee Byrne, Niall Holmes, Brian Norton

Conference papers

This paper presents an overview of the cement-based batteries developed in DIT for use in the cathodic protection of embedded steel in reinforced concrete undergoing chloride-induced corrosion. Cathodic protection delivers an external current (approximately 20mA per m2 of embedded steel) which effectively polarises the internal current generated during corrosion. The batteries developed in DIT comprise of a cement-based electrolyte containing different additives including sand, aggregate, salts, carbon black and plasticiser with protruding anode and cathode metal plates. These batteries produced an initial electrical output of 1.5V and 23mA through a 10 resistor as measured using data acquisition units and a …

Synthesis Of Porous Carbon Nanosheets And Its Application In Sodium-Ion Battery, Jing-Fei Zhang, Jing Lu, Xiao-Yu Yang, Yun-Di Huang, Lin Xu, Dong-Mei Sun, Ya-Wen Tang

Journal of Electrochemistry

Owning to sodium’s high abundance, relatively low cost, similar chemical properties to Li and very suitable redox potential of E₀(Na⁺/Na) = -2.71 V versus SHE which is only 0.3 V above that of lithium, rechargeable sodium ion battery hold much promise as potential alternatives to current lithium ion batteries for energy storage applications. Carbon material is regarded as the most promising anode candidate for sodium ion battery. Particularly, carbon nanosheet with porous structure and high conductivity is expected to have improved sodium ion storage properties. In this paper, we present a two-step pyrolysis-based method for facile …

Methods For Coating Quartz Crystals, William Patrick

Senior Honors Projects, 2010-2019

The goal of this project was to evaluate the effectiveness a procedure that can be used to coat quartz crystal microbalance crystals with titanium dioxide. A successful suspension was created by suspending titanium dioxide powder in poly(acrlic) acid and mixed in an ultra-sonication bath. By utilizing a spin-coater, the TiO₂ suspension was successfully dispensed onto a QCM crystal and verified using a surface profiler and microscope. However, after QCM testing, there was no evidence that supports the TiO₂ precursor aiding in photocatalytic reactions.

Applying Bayesian Machine Learning Methods To Theoretical Surface Science, Shane Carr

McKelvey School of Engineering Graduate Student Theses & Dissertations

Machine learning is a rapidly evolving field in computer science with increasingly many applications to other domains. In this thesis, I present a Bayesian machine learning approach to solving a problem in theoretical surface science: calculating the preferred active site on a catalyst surface for a given adsorbate molecule. I formulate the problem as a low-dimensional objective function. I show how the objective function can be approximated into a certain confidence interval using just one iteration of the self-consistent field (SCF) loop in density functional theory (DFT). I then use Bayesian optimization to perform a global search for the solution. …

Size-Controlled Large-Diameter And Few-Walled Carbon Nanotube Catalysts For Oxygen Reduction, Xianliang Wang, Qing Li, Hengyu Pan, Ye Lin, Yujie Ke, Haiyang Sheng, Mark T. Swihart, Gang Wu

Faculty Publications

We demonstrate a new strategy for tuning the size of large-diameter and few-walled nitrogen-doped carbon nanotubes (N-CNTs) from 50 to 150 nm by varying the transition metal (TM = Fe, Co, Ni or Mn) used to catalyze graphitization of dicyandiamide. Fe yielded the largest tubes, followed by Co and Ni, while Mn produced a clot-like carbon morphology. We show that morphology is correlated with electrocatalytic activity for the oxygen reduction reaction (ORR). A clear trend of Fe > Co > Ni > Mn for the ORR catalytic activity was observed, in both alkaline media and more demanding acidic media. The Fe-derived N-CNTs exhibited …

Preparations And Properties Of Polybenzimidazole/Polyvinylbenzyl Crosslinked Composite Membranes For High Temperature Proton Exchange Membrane Fuel Cells, Jin-Kai Hao, Yong-Yi Jiang, Zhen Wang, Xiao-Jin Li, Zhi-Gang Shao, Bao-Lian Yi

Journal of Electrochemistry

In order to increase the chemical stability of polybenzimidazole (PBl) membrane, a highly stable polymer, poly vinyl. benzyl chloride (PVBC), was chosen as the macromolecular crosslinker, and 1H-1,2,4-triazol was adopted to prepare the crosslinked PBI-based membranes. The influence of the PVBC amount on membrane characteristic was investigated in detail. The results indi. cated that the crosslinked structure of the membrane effectively improved the chemical stability, and at the same time, the mem. brane presented good mechanical property and proton conductivity. The fuel cell performance for the membrane was tested with hy. drogen and oxygen single cell without humidification at 150 …

Synthesis, Characterisation, Electrochemical, And Spectroscopic Studies Of Cobaloximes: Unique Clues Of Cobalt(I) Species In Various Solvents, Michael John Celestine

Chemistry & Biochemistry Theses & Dissertations

With the dwindling amount of fossil fuels in the world’s reserve is said to run out in the future. The use of alternative fuels such as hydrogen can be produced from renewable sources. One source is the use of first row transition metal complexes that can harness the power of the sun to reduce protons to hydrogen. In this thesis we investigated a well-known hydrogen evolution catalyst in a quest to understand the behavior of different oxidation states that occur during the catalytic cycle.

In an attempt to synthesize a binuclear ruthenium(II) complex, [{Ru(phen)2}2{µmes(1,4-phO-Izphen)3}](PF6)4, as a possible photosensitizer for the …

Characterization Of Iron Phthalocyanine As The Cathode Active Material For Lithium-Ion Batteries, Sarwan S. Sandhu, Joseph P. Fellner

Chemical and Materials Engineering Faculty Publications

The developed thermodynamic functions for the determination of Gibbs free energy, enthalpy, and entropy of formation of solid lithium-iron phthalocyanine (LixFePc) from solid lithium and iron phthalocyanine as a function of x, defined as g-moles of the intercalated lithium per g-mole of iron phthalocyanine, at a fixed set of temperature and pressure conditions are presented. In addition, a proposed expression for the evaluation of lithium diffusion coefficient in solid iron phthalocyanine as a function of both x and temperature, and the experimental results from the ongoing research/development work on the lithium/iron phthalocyanine cells are included.

Synthesis, Structure And Electrochemical Performance Of Na2Mnsio4/C Cathode Material For Na-Ion Batteries, Shou-Ding Li, Jiang-Huai Guo, Yong Xie, Jin-Xiao Mi, Yong Yang

Journal of Electrochemistry

As a promising cathode material for sodium ion batteries, pure phase Na₂MnSiO₄/C nanocomposite was successfully synthesized by a sol-gel method with a citric acid as a complex agent. The as prepared material was characterized by XRD, FTIR, SEM and TEM techniques. XRD and Rietveld refinement results indicated that the sample was indexed as monoclinic structure with space group of Pn. It was observed by SEM and TEM that the obtained product consisted of micro-scaled secondary particles, which were composed of NaMnSiO₄ nanocrystallites and amorphous carbon network. More importantly, the uniform carbon network in the …

Preparation And Characterization Of Carbon Supported Pd-Sb Composite Nanocatalysts For Formic Acid Electrooxidation, Long-Long Wang, Xiao-Lu Cao, Ya-Jun Wang, Jin-Hao Ping, Qiao-Xia Li

Journal of Electrochemistry

Palladium is considered as an efficient anode catalyst with high catalytic activity for electrooxidation of formic acid. To further improve the catalytic activity and stability, alloying or surface modification with Sb is an effective way. In this work, the well dispersed carbon supported Pd-Sb composite nanocatalysts (Pd-Sb/C) were synthesized by traditional impregnation reduction method with trisodium citrate as the complexing agent, sodium borohydride as the reducing agent. The morphologies of Pd-Sb/C and the effects of molar ratio of Pd to Sb on the electrocatalytic properties of Pd-Sb/C for HCOOH electrooxidation were studied. The XRD and XPS analyses on the as-prepared …

Effect Of Adsorption Potential On Co Oxidation At Au@Pt Nanoparticles Electrodes, A Surface Enhanced Raman Spectroscopic Study, Pu Zhang, Yi Wei, Yong-Li Zheng, Yan-Xia Chen, Zhong-Qun Tian

Journal of Electrochemistry

The adsorption/oxidation of CO on the 55 nm [email protected] nm Pt nanoparticles electrode in both potentiodynamic and potentiostatic modes were investigated by surface enhanced Raman spectroscopy in a thin layer electrochemical flow cell under controlled mass transport, with the aim of clarifying the origin CO oxidation at lower electrode potentials (in current pre-wave region of corresponding cyclic voltammograms). Our results demonstrated that the CO oxidation kinetics differed significantly from the three kinds of different CO adsorption history, with almost no CO oxidation current in the pre-peak potential region after 0.35 V_RHE CO adsorption with or without subsequent holding the …

Synthesis And Electrochemical Performance Of Mn3O4/Graphene Composites, Shan-Shan Yang, Qian Zhang, Xiong-Gui Lin, Ming-Sen Zheng, Quan-Feng Dong

Journal of Electrochemistry

The Mn₃O₄/Graphene composites were synthesized by hydrothermal method with the in-situ redox reaction of graphene oxide (GO) and manganese acetate (Mn(Ac)₂). The phase structures and morphologies of the materials were characterized by XRD, SEM and TEM. The XPS and IR techniques were used for studying the residual function groups of reduced graphene oxide (RGO). The electrochemical performances of the hybrids were tested in a coin cell. Results showed that the composites prepared with the addition of ammonia water (RM-A) have better performance. The graphenes in RM-A were better-reduced and the Mn₃O_{4 …}

Tungsten Carbide/Carbon Electrode Material Synthesized By Block Copolymer Template Method, Xiao-Ling Lang, Ye-Kun Jiang, Mei-Qin Shi, Ling-Zhi Kang, Chun-An Ma

Journal of Electrochemistry

At present, one of the major hurdles for commercialization of system with direct methanol fuel cell (DMFC) is still the requirement of a significant amount of platinum (Pt) catalyst to achieve an acceptable power density. Pt and Pt-based metals are expensive due to limited supplies. In order to find the catalyst alternative to the Pt metal, we selected tungsten carbide (WC) and its composites as the study object. We synthesized WC with carbon materials as the suitable support to modify the electronic structure and to increase the specific surface area of WC. In this study, tungsten carbide/carbon (WC/C) was prepared …

Mechanism Study On The Electrocatalytic Oxidation Of Acetylene To Oxalic Acid, Xiu-Li Song, Rui-Long Jia, Wen-Yan Dong, Zhen-Hai Liang

Journal of Electrochemistry

A new method of electrocatalytic synthesis oxalic acid from acetylene was explored and the synthesized oxalic acid was characterized by Ultraviolet-visible spectrophotometry (Uv-vis) and Infrared spectroscopy (IR). First-principles calculations were carried out to examine the adsorption of acetylene over the Pt(111) surface. The electrocatalytic oxidation behavior of acetylene has been investigated on a Pt electrode by cyclic voltammetry (CV) and steady-state polarization in Na₂SO₄ solution. The formation mechanism of oxalic acid in the Na₂SO₄ solution was proposed and the transfer coefficients of the reaction were calculated. The results show that acetylene molecule tends to …

Effect Of Carbon Nanotubes On Anodic Properties Of Ti/Ru-Ir-Sn Oxides, Feng Lian, Yong-Lei Xin, Bo-Jiang Ma, Li-Kun Xu

Journal of Electrochemistry

The Ru-Ir-Sn metal oxide anodes coated on titanium (Ti/Ru-Ir-Sn) were prepared by thermal decomposition. The effects of amounts of carbon naotubes (CNTs) on anodic properties were studied by TGA, SEM, EDS, cyclic voltammetry, EIS, polarization measurements and accelerated life test. The thermogravimetric analysis and EDS spectrum data showed that the high temperature oxidation decomposition of CNTs did not take place under the condition of the sintering temperature of 470 ℃, and the CNTS still existed in the anode coating in an element form. Compared with the contrast samples, the surface crack of the coating increased, but remained typical morphology. Adding …

Determining Glucose Isomerization Mechanisms On Lewis Acidic Beta Zeolites Using Isotropic Tracer Studies And 1h Nmr, Jacklyn N. Hall, Michael J. Cordon, Rajamani Gounder

The Summer Undergraduate Research Fellowship (SURF) Symposium

Biofuels synthesized from biomass sources are becoming necessary for sustainable production due to their significantly lower net CO₂ production than fuels synthesized from fossil-based carbon sources such as petroleum. Catalytic pathways for the primary biomass-to-biofuels reaction pathway include the isomerization of glucose to fructose, which can be catalyzed by either Lewis acids or bases. Isolated metal atoms and metal oxide particles on Beta zeolites serve as active sites that catalyze this reaction through a Lewis acid 1,2-intramolecular hydride shift or by a Lewis base proton transfer mechanism, respectively. The Lewis acid mechanism has proven to have higher fructose selectivity …

The Role Of Environmental Dynamics In The Emergence Of Autocatalytic Networks, Joe Fusion

Dissertations and Theses

For life to arise from non-life, a metabolism must emerge and maintain itself, distinct from its environment. One line of research seeking to understand this emergence has focused on models of autocatalytic reaction networks (ARNs) and the conditions that allow them to approximate metabolic behavior. These models have identified reaction parameters from which a proto-metabolism might emerge given an adequate matter-energy flow through the system. This dissertation extends that research by answering the question: can dynamically structured interactions with the environment promote the emergence of ARNs? This question was inspired by theories that place the origin of life in contexts …

Platinum-Bismuth Bimetallic Catalysts: Synthesis, Characterization And Applications, Jose A. Saucedo Jr, Yang Xiao, Arvind Varma

The Summer Undergraduate Research Fellowship (SURF) Symposium

Bimetallic catalysts have been explored and shown to exhibit unique characteristics which are not present in monometallic catalysts. Platinum is well known as an effective catalyst for oxidation and reduction reactions, and it can be made more effective when bismuth is introduced as a promotor. Thus, the effectiveness of the Pt-Bi catalyst was demonstrated in prior work. What is not clear, however, is the mechanism behind the catalyst function; why addition of bismuth to platinum decreases deactivation and increases selectivity, and how effective would the Pt-Bi catalyst be in deoxygenation reactions? In this work, the effectiveness of different variations of …

Synthesis Of Graphene Wrapped Li-Rich Layered Metal Oxide And Its Electrochemical Performance, Meng-Yan Hou, Ke Wang, Xiao-Li Dong, Yong-Yao Xia

Journal of Electrochemistry

In present work, lithium-rich layered transition metal oxide (LLO) was synthesized by a co-precipitation method in combination with a solid-state reaction. The graphene wrapped Li-rich layered oxide composite (LLO/Gra) was obtained by sintering the LLO/GO composite at 300 ^oC for 30 min in an air. The morphologies and the electrochemical performances were characterized by means of SEM, TEM, XRD, XPS, EIS and charge/discharge tests. The results indicated that the LLOe particles were uniformly wrapped with graphene. The resulting material exhibited better rate capability than that of pristine LLO since the wrapped graphene demonstrated the enhanced electronic conductivity. Accordingly, the …

Enhancing Stability Of Pem Fuel Cell Catalysts Via Support Changing, Xiao-Hong Xie, Zi-Dong Wei

Journal of Electrochemistry

The Pt/C catalyst with highly dispersed Pt nanoparticles supported on carbon has been widely used as the state-of the-art catalyst in proton exchange membrane fuel cells (PEMFCs), while the durability of Pt/C is one of the major barriers for large-scale applications of PEMFCs. Thus, enhancing the stability of Pt/C has been a hot issue in this field. In this review, we summarize the recent progress in enhancing the catalyst stability in the view of support material. The future prospects of the PEMFCs catalyst should focus on adopting more stable supports or strengthening the interactions between Pt and supports.