Chemical Engineering Commons^™

Triphlapan: Predicting Hla Molecules Binding Peptides Based On Triple Coding Matrix And Transfer Learning, Meng Wang, Chuqi Lei, Jianxin Wang, Yaohang Li, Min Li

Computer Science Faculty Publications

Human leukocyte antigen (HLA) recognizes foreign threats and triggers immune responses by presenting peptides to T cells. Computationally modeling the binding patterns between peptide and HLA is very important for the development of tumor vaccines. However, it is still a big challenge to accurately predict HLA molecules binding peptides. In this paper, we develop a new model TripHLApan for predicting HLA molecules binding peptides by integrating triple coding matrix, BiGRU + Attention models, and transfer learning strategy. We have found the main interaction site regions between HLA molecules and peptides, as well as the correlation between HLA encoding and binding …

Recovery Of Ionic Liquid From The Model Solution Mixture Mimicking The Catalytically Hydrolyzed Cellulose Product Utilizing Amberlyst Ion-Exchange Resin, Chhabilal Regmi, Chidambaram Thamariselvan, Zhexi Zhu, Xianghong Qian, S. Ranil Wickramasinghe

Chemical Engineering Faculty Publications and Presentations

The hydrolysis of cellulose using ionic liquid (IL) has been extensively studied but there is limited understanding of the removal of IL from the biomass hydrolysate. Finding a suitable method for the recovery and reuse of IL is one of the biggest challenges before its large-scale application. Selecting an appropriate combined recovery process is very important. This study proposed a facile ion-exchange combined method for the recovery of IL from the modeled cellulose hydrolysate mixture containing sugars as well as γ-valerolactone (GVL) via an adsorption–desorption mechanism using sulfonic acid cation-exchange (Amberlyst 15 (H)) resin. The results showed that the resin …

Polylactic Acid (Pla) Containing Talc Microparticles And Amorphous Polyhydroxyalkanoates (Aphas) For Improved Barrier And Mechanical Properties In Food Packaging, Mohammed Alfaifi

Graduate Theses, Dissertations, and Problem Reports (ETD)

Polylactic acid (PLA) is a biobased and compostable polymer that is increasingly being used as an alternative to petroleum-based, non-biodegradable polymers for single-use food packaging due to its environmental benefits. It is also commercially available in large quantities, and it can be processed like polyethylene. However, it has a higher water-vapor permeability (WVP) as compared to polyolefins and polyethylene terephthalate that are the incumbent materials. This results in a competitive disadvantage in employing PLA for packaging baked goods since the shelf life of the food is likely to be reduced. In the past, barrier properties of PLA were improved by …

Aerosol Jet Printing Of Surface Acoustic Wave Microfluidic Devices, Joseph Rich, Brian Cole, Teng Li, Brandon Lu, Hanyu Fu, Brittany N. Smith, Jianping Xia, Shujie Yang, Ruoyu Zhong, James L. Doherty, Kanji Kaneko, Hiroaki Suzuki, Zhenhua Tian, Aaron D. Franklin, Tony Jun Huang

Faculty Publications

The addition of surface acoustic wave (SAW) technologies to microfluidics has greatly advanced lab-on-a-chip applications due to their unique and powerful attributes, including high-precision manipulation, versatility, integrability, biocompatibility, contactless nature, and rapid actuation. However, the development of SAW microfluidic devices is limited by complex and time-consuming micro/nanofabrication techniques and access to cleanroom facilities for multistep photolithography and vacuum-based processing. To simplify the fabrication of SAW microfluidic devices with customizable dimensions and functions, we utilized the additive manufacturing technique of aerosol jet printing. We successfully fabricated customized SAW microfluidic devices of varying materials, including silver nanowires, graphene, and poly(3,4-ethylenedioxythiophene) polystyrene sulfonate …

Investigation Of Synergistic Effect Between Polystyrene And Polyethylene Under Conventional Thermal Heating And Microwave Heating, Thang Luong

Graduate Theses, Dissertations, and Problem Reports (ETD)

Single-use plastics (Low Density Polyethylene, LDPE; Polystyrene, PS; Polypropylene, PP) are increasingly used in the modern world, with their usage growing every year. An effective method to manage the resulting waste is urgently needed, as landfilling and incineration have proven harmful to the environment in the long term. Mechanical recycling may not maintain the desirable characteristics of the single-use plastics through several cycles. Pyrolysis emerges as a promising approach to address plastic waste. Given that single-use plastic waste often comes in a mixture, combining plastic in the feedstock is a viable solution to effectively convert these polymers altogether to gain …

Triggered Online System Re-Identification Applied To Model Predictive Control Using Gaussian Processes, Daniel Augusto Kestering

Graduate Theses, Dissertations, and Problem Reports (ETD)

Safety, product quality, enhanced performance, and increased profit all depend on the control of chemical and energy processes. However, operational issues can lead to control challenges, especially when processes are subject to disturbances during their operation. Process control methods work best when processes operate close to their designed operat- ing conditions, but lack of performance or other issues may occur when the process is far from such conditions. To overcome these challenges, in this dissertation, online model re- identification is proposed for Model Predictive Control (MPC). This involves reassessing the predictive model of an advanced controller, namely MPC, when re-identification …

Dough Rheology And Its Influence On Sheeting Behavior, Najat Albarakati

Graduate Theses, Dissertations, and Problem Reports (ETD)

Dough is the starting material for a large number of baked products, including cookies, crackers and bread. In commercial food processing operations, it is desired to obtain the same product and with the same dimensions in a reproducible manner in order to minimize waste. In the case of dough, the flour used, and the nature and amount of ingredients employed depend on the specific product and the market served. This research was aimed at relating cracker dough rheology to sheeting behavior between two counter-rotating rollers. The sheet that is formed is used to punch out the crackers that are then …

Novel Membrane Materials For Nutrient Recovery From Nutrient-Rich Resources, Km Prottoy Shariar Piash

Graduate Theses, Dissertations, and Problem Reports (ETD)

Global demand for fertilizer production is expanding substantially to meet the food demand of an increasing world population. Anaerobic digestate (AD) of various centralized wastewater facilities contains substantial amounts of ammonium (NH₄⁺) (300-800 mg/L), potassium (K⁺) (13-120 mg/L), and phosphorus (P) (30-100 mg/L)- based nutrients. In addition to reducing energy costs and CO₂ emissions compared to conventional fertilizing raw material manufacturing, recovering nutrients from these waste streams could help mitigate problems such as eutrophication, which otherwise incurs billions of dollars losses to US economy annually. Apart from nutrients, wastewater streams also contain organic pollutants …

Development Of Dynamic Modeling And Estimation Techniques For Condition Monitoring Of Advanced Energy Systems, Vivek Saini

Graduate Theses, Dissertations, and Problem Reports (ETD)

The integration of renewable energy sources into the electric grid requires the current fleet of fossil-fired power plants to operate more flexibly, leading to frequent load changes that stress critical high temperature boiler components that were primarily designed for base load operations. The more complex operating scenarios can modify component damage, compromising reliability and increasing operational costs. To ensure efficient plant operations, adaptive condition monitoring tools generalizable for different plant configurations are essential for recognizing the impacts of load-following, improving safety, and preventing outages. This dissertation work is primarily focused on the development of advanced modeling and estimation techniques frameworks …

Characterization And Evaluation Of Various Biochar Types As Green Adsorbents For Rare Earth Element Recovery From Aqueous Solutions, Oluwaseun Victor Famobuwa

Graduate Theses, Dissertations, and Problem Reports (ETD)

Rare earth elements (REEs) are members of the lanthanide family (atomic number 57 – 71). They are significantly important to the global economy due to their applications in renewable energy, defense, and medical industries. REEs are primarily derived from bastnaesite and monazite but may also be present in xenotime, cerite, alanite, and many other types of mineralization in lesser amounts. Due to the increasing demand for REEs and their criticality in the supply chain, the need to explore secondary sources of REEs has gained tremendous importance.

Secondary sources of REEs include but are not limited to acid mine drainage (AMD), …

Enhancing Pipeline Simulations Through Artificial Intelligence And Machine Learning: A Smart Proxy Modelling Approach, Afeez Shittu

Graduate Theses, Dissertations, and Problem Reports (ETD)

ABSTRACT

Enhancing pipeline simulations is essential for improving operational efficiencies and effectively managing risks in the oil and gas industry. Traditional pipeline simulators, relying heavily on mathematical modeling assumptions, often face limitations due to their high energy and computational demands. This thesis addresses these challenges by introducing an innovative approach that integrates artificial intelligence (AI) and machine learning (ML) through a smart proxy model, offering a more efficient, cost-effective, and flexible alternative to conventional full-physics models used in pipeline simulation software.

The primary aim of this research is to develop and implement a smart proxy model capable of accurately predicting …

Engineering Applications Of Artificial Intelligence To Forecast Production Of Shale Wells, Yasir Jassim Alkalby

Graduate Theses, Dissertations, and Problem Reports (ETD)

This study examines the application of artificial intelligence (AI) and supervised machine learning techniques to forecast production from unconventional shale wells, utilizing actual field measurement data over a period of two years. Traditional methods, such as decline curve analysis, offer valuable insights but often fail to fully capture the complex nuances affecting productivity and tend to rely excessively on empirical equations.

In this research, the AI-based Shale Analytics approach, introduced by Mohaghegh in 2017, is employed. This method leverages Big Data Analytics to identify unique patterns from actual field observations, enhancing the evaluation and quantification of various productivity factors, facilitating …

Development Of Dynamic Mass-Energy-Thermodynamics Constrained Hybrid Neural Network Models For Process Systems Applications, Angan Mukherjee

Graduate Theses, Dissertations, and Problem Reports (ETD)

First-principles models can provide very good predictions even for cases when there are no data at all, or data are limited in certain range of operating conditions, or for cases where data collection is infeasible. However, the development of accurate first-principles models for complex nonlinear dynamic systems can be time consuming, computationally expensive, and may be infeasible for certain systems due to lack of sufficient knowledge (information). It is also challenging to adapt first-principles models for time-varying systems. Furthermore, it can be difficult, if not impossible, to develop accurate models for some complex phenomena that are poorly understood. On the …

State Estimation And Economic Analysis For Electrochemical Sensor-Based Corrosion Monitoring, Chandra Sekhar Somayajula

Graduate Theses, Dissertations, and Problem Reports (ETD)

Coal is currently the third-largest source of electricity production in the U.S. However, renewables are projected to be the primary source of electricity production in the future. Though coal-fired power plants (CFPPs) are rapidly retiring in the U.S., many CFPPs worldwide are expected to stay operational for a while due to factors like easy and cheap access to comparatively inexpensive coal. Therefore, non-renewable sources like coal are still expected to be prevalent and be used to ensure the stability of the electric grid in the foreseeable future. The existing coal-fired power plants generally designed to operate at base-loaded conditions are …

Xylan Fast Pyrolysis: An Experimental And Modelling Study Of Particle Changes And Volatiles Release, F Cerciello, E Freisewinkel, A Coppola, C Ontyd, D Tarlinski, Martin Schiemann, Osvalda Senneca, Pierro Salatino, C Allouis, Victor Scherer, Thomas H. Fletcher

Faculty Publications

Biomass char particles produced by pyrolysis may have different morphologies, which has important implications on burning mode, conversion rate and boiler efficiency. These features are difficult to address due to the complexity of biomass structure and pyrolysis reaction models. The present work reports preliminary results on the morphological changes and volatile release that solid particles of Xylan experience upon fast heating in a Drop Tube Reactor (DTR) and in a Heated Strip Reactor (HSR) in a range of temperature between 1100 and 1573 K under inert atmosphere with heating rate in the order of 10³ K/s. Two different Xylan …

Strategies For Process Systems Mapping And Control Based On Operability Analysis, Victor Manuel Cunha Alves

Graduate Theses, Dissertations, and Problem Reports (ETD)

This dissertation aims to develop strategies for process systems engineering (PSE) mapping using models, emerging tools and algorithms motivated by process operability analysis research. Such strategies will be employed to ensure simultaneous design and control of large-scale industrial systems. The emerging tools and techniques in this research include supervised machine learning-based (ML-based) operability mapping, automatic differentiation (AD) for implicit mapping, and the development of a systematic mapping approach for control structure selection using operability analysis. Thus far, the developed operability algorithms either recur to nonlinear programming (NLP) solutions which are computationally expensive or to linearizing the underlying modeling task at …

Assessing The Feasibility And Mechanism Of Destructive Removal Of Per- And Polyfluoroalkyl Substances (Pfas) From Water, Kaushik Vinaykumar Londhe

Dissertations

One of the most pertinent challenges faced by the drinking water community is the widespread contamination of per- and polyfluoroalkyl substances (PFAS). These anthropogenic chemicals have been ubiquitously used in everyday products such as carpets, stain repellents, dyes, shampoos, non-stick cookware as well as in aqueous firefighting foams. PFAS are linked with adverse health effects in humans such as thyroid disease, obesity, immunological and reproductive disorders and linked to cancer in adults and low birth weight and developmental defects in infants.

Conventional water treatment technologies have proven to be largely ineffective in PFAS remediation, due to their extreme stability and …

Classification Of Oil Products According To The Nomenclature Of Goods, Kurbankul Mavlankulovych Karimkulov Profesor, Azoda Abdurahmanova

Technical science and innovation

The article analyzes types of vegetable oils. Simple methods of determining their quality using liquid gas chromatography have been developed. Recommendations for improving the classification of foreign economic activity based on commodity nomenclature were developed and recommended for customs operations. “Fats and oils of animal, vegetable or microbiological origin and products of their breakdown; prepared edible fats; waxes of animal or vegetable origin” was called. Animal fats, including pork, beef, sheep, goat, fish and oils of animals such as marine mammals are classified according to the Nomenclature of Foreign Economic Activities of the Republic of Uzbekistan in commodity headings 1501-1506 …

Advancing Polymer Sustainability Through Custom Interpenetrating Polymer Network Synthesis, Processing, And Design, Alexandra Maria Lehman-Chong

Theses and Dissertations

The need for improving polymer sustainability is as ubiquitous as the role of polymers in modern society. Interpenetrating polymer network (IPN) design flexibility offers opportunities for improved polymer sustainability while balancing desired polymer properties for various applications. This work investigates the structure-property-processing relationships of IPNs judiciously designed under the framework of the polymer life cycle. Sustainable polymer design was largely considered at the feedstock and manufacturing stages while considering overall polymer performance. Chemicals from bio-based feedstocks were used to design a full simultaneous polybenzoxazine-epoxy IPN, focusing on the effects of monomer and polymer structure on polymer properties. Processing-property relationships were …

Reducing Food Scarcity: The Benefits Of Urban Farming, S.A. Claudell, Emilio Mejia

Journal of Nonprofit Innovation

Urban farming can enhance the lives of communities and help reduce food scarcity. This paper presents a conceptual prototype of an efficient urban farming community that can be scaled for a single apartment building or an entire community across all global geoeconomics regions, including densely populated cities and rural, developing towns and communities. When deployed in coordination with smart crop choices, local farm support, and efficient transportation then the result isn’t just sustainability, but also increasing fresh produce accessibility, optimizing nutritional value, eliminating the use of ‘forever chemicals’, reducing transportation costs, and fostering global environmental benefits.

Imagine Doris, who is …