Chemical Engineering Commons^™

Investigation Of Oxidized Carbon Supported Au Catalysts Synthesized Via Strong Electrostatic Adsorption Of Au(En)2Cl3 For The Hydrochlorination Of Acetylene To Vinyl Chloride Monomer, Sean Reginald Noble

Theses and Dissertations

Over 20 million tons of vinyl chloride monomer (VCM) is produced every year using acetylene hydrochlorination using a supported mercuric chloride catalyst. During this process mercury is reduced and sublimes into the environment harming all living animals and humans, so carbon-supported Au catalysts have been developed in attempts to replace it. Various techniques have been used to make these catalysts including several variations of dry impregnation. In this study we investigate the ability of Strong Electrostatic Adsorption (SEA) of Au(en)₂Cl₃ onto various supports to demonstrate the ability to rationally and consistently synthesize gold catalysts with ultra-small particle …

A Study Of The Thermodynamics Of Small Systems And Phase Transition In Bulk Square Well-Hard Disk Binary Mixture, Gulce Kalyoncu

Graduate Theses and Dissertations

Under the umbrella of statistical mechanics and particle-based simulations, two distinct problems have been discussed in this study. The first part included systems of finite clusters of three and 13 particles, where the particles are interacting via Lennard Jones potential. A machine learning technique, Diffusion Maps (DMap), has been employed to the large datasets of thermodynamically small systems from Monte Carlo simulations in order to identify the structural and energetic changes in these systems. DMap suggests at most three dimensions are required to describe and identify the systems with 9 (N = 3) and 39 (N = 13) dimensions. At …

Nonlinear Dimensionality Reduction For The Thermodynamics Of Small Clusters Of Particles, Aditya Dendukuri

Graduate Theses and Dissertations

This work employs tools and methods from computer science to study clusters comprising a small number N of interacting particles, which are of interest in science, engineering, and nanotechnology. Specifically, the thermodynamics of such clusters is studied using techniques from spectral graph theory (SGT) and machine learning (ML). SGT is used to define the structure of the clusters and ML is used on ensembles of cluster configurations to detect state variables that can be used to model the thermodynamic properties of the system. While the most fundamental description of a cluster is in 3N dimensions, i.e., the Cartesian coordinates of …

Synthesis Of Carbide Ceramics Via Reduction And Carburization Of Oxyanions Adsorbed Onto An Activated Carbon Matrix, Grant Wallace

Graduate Theses & Non-Theses

Carbide ceramics rank high among the hardest and most chemically resistant materials. Their ability to resist physical and chemical attack under conditions where more traditional materials fail make them very desirable for a number of industrial applications. Their use is limited, however, due to the expensive and energy-intensive methods required to produce them commercially.

A more versatile and energy-efficient process for commercial carbide production has been developed by synthesizing micron/sub-micron carbide ceramic particles through the adsorption and subsequent carburization of anions on an activated carbon matrix. Oxyanion solutions containing sodium tungstate, sodium molybdate, or sodium metasilicate are adsorbed onto activated …

Developing A New Formula For Predicting Oil Recovery Factor In Water Flooded-Heterogeneous Reservoirs, Mohamed Khaled Aljifri

Theses

In this work, two sets of empirical correlations were developed for predicting the recovery factor (RF) in water-flooded layered oil reservoirs. The first set of these correlations encompasses four key parameters believed to have a significant impact on waterflooding performance, namely, reservoir heterogeneity (permeability variation coefficient), injected water viscosity, permeability anisotropy (ratio of vertical permeability to horizontal permeability), and water injection rate. This first set consists of two expanded forms, one for predicting the RF at water breakthrough time (BT) and the other for predicting the RF at the end of the project (EOP). Out of the aforementioned four key …

Theoretical Investigation Of The Biomass Conversion On Transition Metal Surfaces Based On Density Functional Theory Calculations And Machine Learning, Wenqiang Yang

Theses and Dissertations

During the past decades, heterogenous catalyzed conversion of biomass to hydrocarbons with similar or identical properties to conventional fossil fuels has gained significantly academic and industrial interest. However, the conventional heterogeneous catalysts such as sulfided NiMo/Al₂O₃ and CoMo/Al₂O₃ used have various drawbacks, such as short catalyst lifetime and high sulfur content of product. To overcome the limitations of the conventional sulfided catalysts, new catalysts must be developed, which requires a better understanding of the reaction mechanism of the biomass conversion. Based on density functional theory, in this thesis, we reported a computational calculation study …

Solid Materials Discovery For Thin Films, Oxide Catalysts, And Polymer Sealants, Benjamin Ruiz-Yi

Theses and Dissertations

Solid materials are made up of multiple classes, including metals, ceramics, and polymers. While each class can be developed for general purpose applications or highly specialized, discovery of new materials in order to improve upon desired properties is a non-trivial task for any type of material. A wide variety of materials encompass expansive design spaces, consisting of parameters such as chemical compositions, synthesis conditions, and post-processing. Due to this, narrowing down the design space to fit within a given figure-of-merit and economic viability becomes time consuming at best and infeasible at worst. High-throughput experimentation

High-throughput experimentation (HTE) is a methodology …

Physical And Chemical Characteristics Of Supramolecular Complexes Of Glycirrizinic Acid With Phytohormones, Djuraev Tulqin, Esanov Rakhmatillo, Gafurov Makhmudjon, Kushiev Khabibjon

CHEMISTRY AND CHEMICAL ENGINEERING

The process of formation of supramolecular complexes of glycyrrhizinic acid with some phytohormones (indolylacetic acid, indolylbutyric acid, α-naphthyl acetic acid and kinetin) were studied with the aim of creation the plant growth stimulator. The complexes structure was studied using IR and UV spectroscopy methods. The prepared compounds described by some physicochemical parameters. The stability constants and stoichiometric composition of complexes were determined in an aqueous solution at pH of 7,2 using UV spectrometry method. In result, all complexes have composition as 1:1 ratio, except the kinetin complex which has 2:1 ratio. The stability constants were equal: KGA:IAA=1,86±1×104; KGA:IBA=2,51±1×103; KGA:NAA =2,70±1×103 …

Study Of The Process For The Removal Of Dyeing Matters Of The Plant Occimum Basilicum L. Lamiaceae, Usmonjonova Khulkar, Atkhamova Saida, Dodaev Kuchkor

CHEMISTRY AND CHEMICAL ENGINEERING

The aim of the work is dedicated isolation of anthocyanins by ethanol from herbal plant of Occimum basilicum L. Lamiaceae basis. The were studied influencing of temperature, concentration of ethanol to isolation of anthocyanins. There were passed investigations on studying influence level of heating and hydromodule system of rav material-solvent to maximal isolating of anthocyanins. The colors define by fotokolorometrical method at wave length 400-600 nm. There are shown at 540 nm maximal peak of anthocyanins and it is geven as a grapfical diagram. From the obtained depends on content of alcohol in aquatic solution from outlet of colors is …

The Research Of Conditions For The Formation Of Phenol Formaldehyde Resins Modified With Hydroxyl Containg Polyether Polyol, Magrupov Farkhad, Umarov Sherali, Tohirov Murodjon, Radjabova Zukhra

CHEMISTRY AND CHEMICAL ENGINEERING

The aim of the study was to study the conditions of copolycondensation of phenol alcohol with hydroxyl-containing polyether polyol in the presence of maleic anhydride chain extender in order to obtain modified thermoset phenolic-formaldehyde oligomers. Investigation of the dependence of the content of free phenol, formaldehyde and methylol groups on time during the synthesis of the modified phenol-formaldehyde resin with the ratios hydroxyl-containing polyether polyol:phenol alcohol 1:60 mol/mol and 1:100 mol/mol. It was revealed that maleic anhydride, present in the reaction medium as a copolycondensation catalyst, also participates in copolycondensation reactions as a chain extender. Moreover, as the molar fraction …

Vinylation By 3,6-Dimetyloctin-4-Diol-3,6 Acetylene, Yusupova Lola, Abdukarimova Saida, Rajabov Rustambek, Khalimova Oygul

CHEMISTRY AND CHEMICAL ENGINEERING

The aim of the research work elaboration of technology of obtaine of acetylene diols and their vinyl ethers. Reaction of formation mono di vinyl ethers as a result vinyl 3,6-dimetyloktin-4-diol-3,6 by acetylene, and also influence of solvents, the catalyst and its quantity, duration of reaction, temperatures is investigated. Are defined speed of reaction. Recommended vinyl 3,6-dimetyloktin-4-diol-3,6 acetylene in the presence of highly basic systems at atmospheric pressure.

Synthesis And Research Of New Heterometal Complexes Cо(Ii), Ni(Ii), Cu(Ii) And Mn(Ii) Based On V(V) And 5-(4-Pyridyl)-1,3,4-Oxadiazole-2(3h)-Thione Lubricants, Pirimova Mehribon, Kadirova Shakhnoza, Rakhmonоva Dilnoza, Ziyayev Abduhakim

CHEMISTRY AND CHEMICAL ENGINEERING

The oxadiazole derivatives complex compounds with metals are biologically active substances. The aim of the study was to study the interaction of the chlorides of Co (II), Ni (II), Cu (II) and Mn (II) with 5-(4-pyridyl)-1,3,4-oxadiazole-2(3H)–thione, ammonium vanadate. Competitive coordination of donor centers, electronic and geometric structures of the ligand molecule were studied on the basis of the quantum-chemical software package Gaussian09 LanL2DZ. It was shown that 5-(4-pyridyl)-1,3,4-oxadiazole-2(3H)-thione ligand is partially coordinated through a localized nitrogen or sulfur atoms at formation of the complex. А procedure was developed for the synthesis of new mixed-metal complexes. The composition and structure of …

Poly(Ethylene Oxide) Based Polymer Electrolytes For All-Solid-State Li-S Batteries, Xue Li, Zheng-Liang Gong

Journal of Electrochemistry

In recent years, research on lithium-sulfur (Li-S) batteries has received much attention because the sulfur positive electrode and the lithium metal negative electrode produce a high theoretical specific capacity (lithium metal ~ 3800 mAh·g-1, sulfur ~ 1675 mAh·g-1). In addition, sulfur is considered to be the most promising cathode material for secondary lithium batteries, due to its advantages of low price and environmental friendly. However, the practical application of conventional liquid Li-S batteries is still obstructed by several critical issues, such as lithium ploysulfides shuttle effect, long-term stability of lithium metal anode with organic liquid electrolytes, and the safety concerns …

Preparations Of Nano-MnoX/Ti Electrocatalytic Membrane Electrode For Catalytic Oxidation Of Cyclohexane Using Intermittent Electrodeposition, Xue Zhou, Hong Wang, Zhen Yin, Yu-Jun Zhang, Jian-Xin Li

Journal of Electrochemistry

Cyclohexanone and cyclohexanol (KA oil) obtained from highly selective oxidation of cyclohexane (CHA) show important industrial value and application prospects. In this work, the intermittent electrodeposition was developed to prepare nano-MnO_x catalyst loading porous tubular titanium membrane electrode (MnO_x/Ti), which was employed to constitute an electro-catalytic membrane reactor (ECMR) for the oxidation of cyclohexane to produce cyclohexanol and cyclohexanone. The surface morphology, crystal structure and electrochemical property of the catalysts were characterized by FESEM, XRD and electrochemical workstation, respectively. The results show that the catalyst prepared by the intermittent electrodeposition displayed nano-flower-like γ-MnO₂. Compared …

Preparation Of Α-Hydroxylated Acetal From 2-Butanone By Indirect Electrooxidation, Hai-Qing Huang, Ye Miao, Xin-Sheng Zhang

Journal of Electrochemistry

Acetoin (3-hydroxy-2-butanone) is an important food spice. As a platform compound, it is widely used in medicine, tobacco, cosmetics, chemical material and other industries. In this paper, α-hydroxylated acetal, an intermediate of acetoin, was prepared from 2-butanone by indirect electrooxidation in the plate and frame electrolytic cell, in which graphite plates were used as both an anode and a cathode, while KOH as an electrolyte and KI as a catalyst. Acetoin could be prepared by hydrolysis in acidic aqueous solution from acetoin intermediate. The effects of current density, electrolyte flow rate between the plates, 2-butanone concentration and electrolysis temperature …

Stability Studies For A Membrane Electrode Assembly Type Co2 Electro-Reduction Electrolytic Cell, Qing Mao, Bing-Yu Li, Wei-Yun Jing, Jian Zhao, Song Liu, Yan-Qiang Huang, Zhao-Long Du

Journal of Electrochemistry

Electro-catalytic reduction is an efficient way to achieve resourcable transformation of CO₂, which is one of the important techniques to solve the global environmental problems originated from excessive CO₂ emission. In this study, a membrane electrode assembly(MEA) type CO₂ electro-reduction electrolytic cell was constucted, which enables CO₂ feeding and real-time KHCO₃ aqueous updating on both sides of the cathode gas diffusion electrode (GDE). By means of the electrolytic cell, effects of KHCO₃ concentration and updating inside the liquid electrolytic chamber on CO₂ electro-reduction activity, production distribution and stability were investigated. The experimental …

Brominated Carbon Materials As Positive Electrodes For Nonaqueous Secondary Lithium-Bromine Batteries, Benjamin Beau Peterson

LSU Doctoral Dissertations

Secondary lithium-bromine (Li-Br₂) batteries have theoretical potentials near 4.1 V vs Li/Li⁺ and capacities more than 2 times greater than conventional Li-ion batteries. Herein, secondary, non-aqueous Li-Br₂ half-cell batteries are reported using a Li metal anode, carbon-coated glass fiber separator, non-aqueous Li-based electrolytes with and without the addition of lithium bromine (LiBr) salt, and positive electrodes consisting of either chemically brominated non-graphitic carbon or carbon derived from the carbonization of metal-organic frameworks (MOFs) with LiBr embedded into the micro- and mesopores of the carbon matrix. The separator is effective in mitigating the transport of Br_{2 …}

Electrochemical Oxidation Of Metal Chromium In Odium Hydroxide Aqueous Solution, Ping Han, Hai-Tao Feng, Ya-Ping Dong, Sen Tian, Bo Zhang, Wu Li

Journal of Electrochemistry

Ferrochrome electrolysis technology is a novel method for preparing sodium chromate (Na₂CrO₄). Although the method performs well at soft reaction conditions, controllable process, environmentally friendly production process, etc., the electrochemical oxidation process of metal chromium in NaOH aqueous electrolyte is still unclear. At present, there are few research articles about specific electrochemical oxidation of metal chromium in NaOH aqueous electrolyte. It is, therefore, meaningful to carry out the research in electrochemical oxidation mechanism of chromium. The electrochemical oxidation of metal chromium in 0.01 mol·L-1 ~ 10 mol·L-1 NaOH aqueous electrolytes at 20 °C was studied by …

Synthesis And Raman Study Of Hollow Core-Shell Ni1.2Co0.8P@N-C As An Anode Material For Sodium-Ion Batteries, Jia-Hui Chen, Xiao-Bin Zhong, Chao He, Xiao-Xiao Wang, Qing-Chi Xu, Jian-Feng Li

Journal of Electrochemistry

With the increasing demand for large-scale energy storage, great progress has been made in discovering new advanced energy storage materials. Sodium-ion batteries (SIBs) have attracted much attention in recent years due to their use of abundant sodium resources and their comparable electrochemical capacity to lithium-ion batteries (LIBs). In this paper, we developed novel hollow core-shell Ni-Co bimetallic phosphide nanocubes with N-doped carbon coatings (Ni_1.2Co_0.8P@N-C) as the anode material for SIBs. The material was synthesized through a low-temperature phosphorization method using resorcinol formaldehyde (RF) resin coating with a Ni-Co Prussian blue analogue (PBA) as a template and …

Biogas Upgrading Via Solid Resin-Based Amine Sorbents, Olusola Johnson

USF Tampa Graduate Theses and Dissertations

Biogas is a valuable renewable energy generated from anaerobic digestion of biodegradable organic matter. It is applicable as fuel in vehicles, for the generation of electricity, industrial heating, or as raw material to produce chemicals, liquid fuels, syngas, and compressed natural gas (CNG). Carbon dioxide (CO2) and methane (CH4) are the major components in biogas, with a trace amount of contaminants, including hydrogen sulfide (H2S), water vapor (H2O), nitrogen (N2), ammonia (NH3), oxygen (O2), carbon monoxide (CO), halides, volatile organic compounds (VOCs), siloxanes, and hydrocarbons.

The source of biogas, which is anaerobic digestion of different organic matter or landfill decomposition, …