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化工 & 能源 : 学术学位

Single molecule studies of flexible polymers under shear and mixed flows.

We combine manipulation and single molecule visualization of flexible DNA polymers with the generation of controlled simple shear and planar mixed flows for the investigation of polymer flow physics. With the ability to observe polymer conformation directly and follow its evolution in both dilute an

Catalytic conversion of lactic acid to commodity and specialty chemicals.

Vapor phase lactic acid conversion has been performed using a fixed-bed, down-flow reactor. Lactic acid conversion conducted over sodium salts on low surface area silica catalysts produces mainly 2,3-pentanedione, acetaldehyde, and acrylic acid. Formation of acrylic acid from lactic acid is optimum

Low density polyethylene/thermoplastic starch blends.

This work presents an approach to preparing polyethylene/thermoplastic starch blends with exceptional properties. Thermoplastic starch (TPS), as opposed to dry starch, is capable of flow and hence when mixed with other synthetic polymers can behave in a manner similar to conventional polymer-polymer

Simultaneous optimization models for heat integration systems.

Several models are presented in this thesis for the systematic optimal design of grassroots and retrofit heat integration systems. Significant improvements over previous design methods are obtained due to the simultaneous nature of the proposed models. These models are not heuristic-based and can ac

Adsorption in microporous adsorbents: Thermodynamics and computer simulations.

The primary goal of this thesis is to apply thermodynamic, statistical mechanical and computer simulation methods to describe the equilibrium behavior of single-gases and mixtures confined in microporous adsorbents. Models capable of handling the effects of energetic heterogeneity and adsorbate-adso

Molecular modeling of electrocatalysis: The electroreduction of oxygen on platinum.

Density functional theory (DFT) and molecular dynamics (MD) techniques are used to study the most probable rate-determining step in electroreduction of oxygen on a platinum metal (M) surface: O2g+H +

Study of adsorption of trisiloxane surfactants on air-water and hydrophobic solid-water interface: An attempt to explain the "super-spreading" behavior.

The exceptional ability of the trisiloxane surfactants to enhance spreading of water on highly hydrophobic surfaces has been the focus of many recent studies. The reason behind their “super-spreading” ability is not yet clear. In this work, we explain the reason of their “super-spr

Wavelet-based methods for numerical solution of differential equations.

n this work, we study the use of wavelets for numerical solutions of differential equations. Wavelets constitute unconditional bases for a variety of function spaces, thus they can provide accurate approximations of functions in such spaces. Wavelets have certain orthogonality, and may have compact

Process optimization in batch scheduling and distillation column sequencing.

Process optimization plays an important role in the chemical process industry. In its most general form, process optimization is a multiobjective and multivariable optimization problem of an extremely complex nature. These complex optimization problems are divided into smaller problems that are easi