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Spring 2019

Stevenson, Keisean AJM

Thermodynamics-based predictive models of retention in gas chromatography and comprehensive two-dimensional gas chromatography have been demonstrated to provide high prediction accuracy across a wide range of separation conditions. They generally predict better than retention index-based models...

Fall 2015

Dini, Yoann

Oil sands bitumen is increasingly recovered by injecting steam into reservoirs using the energy intensive Steam assisted gravity drainage (SAGD) process. Interest in improving recovery and energy efficiencies have led to an interest in injecting light hydrocarbons along with or instead of steam...

2023-05-26

Binyaminov, Hikmat, Elliott, Janet A. W.

The effects of a dissolved gas on the behavior of liquid in cylindrical nanopores are investigated in the framework of Gibbsian composite system thermodynamics and classical nucleation theory. An equation is derived relating the phase equilibrium of a mixture of a subcritical solvent and a...

2021-02-02

Shardt, Nadia, Wang, Yingnan, Jin, Zhehui, Elliott, Janet

It is desirable to predict the surface tension of liquid mixtures for a wide range of compositions, temperatures, and pressures, but current state-of-the-art calculations (e.g., density gradient theory) are computationally expensive. We propose a computationally simple—but accurate—semi-empirical...

1982

Truong, Thi Thu Thuy

Spring 2014

Kabiri, Maryam

The spontaneous assembly of polypeptides through non-covalent interactions at physiological conditions is the main focus of the presented work and will be discussed from two different perspectives: (i) the interaction of peptide chains with themselves leading to formation of higher order...

Spring 2018

Liu, Fanghui

Micro and nanoscale confinements and local curvatures, which are ubiquitous in natural and man-made materials and systems, cause significant impact on thermodynamic phase behavior. This effect has been extensively studied for single component solid's liquid phase transitions, but rarely for...

1988

Smith, John F.

Fall 2014

McGinitie, Teague M

Three parameter thermodynamic predictive models have been shown previously to provide superior accuracy in the prediction of gas chromatographic retention times in comparison to other forms of modelling such as retention indices. However, these models suffer from the need for extensive...

2019-06-06

Xiaochuan Tony Zheng, Tony Zheng

The un-saturated flow sub-model is based on a previously developed infiltration-drainage model. This research improves the original model by adding capabilities of handling dynamic boundary conditions and inter-layer overflow mechanisms. Additional validation cases are conducted to build...