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Theses/Dissertations

2005

Chemical Engineering

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Full-Text Articles in Engineering

Isolation And Thermodynamic Characterization Of Aminoglycoside Nucleotidyltransferase (2″)-Ia, Roger Edward Wright Dec 2005

Isolation And Thermodynamic Characterization Of Aminoglycoside Nucleotidyltransferase (2″)-Ia, Roger Edward Wright

Doctoral Dissertations

Aminoglycoside nucleotidyltransferase(2″)-Ia is one of the most important aminoglycoside-modifying enzymes. Because of the difficulties in isolating this enzyme with a high level of purity, very little work has been reported for this enzyme. A procedure for obtaining this enzyme with a purity level of greater than 95% from inclusion bodies was developed. The optimal conditions for isolating ANT(2″) were solubilizing the inclusion bodies in 8 M urea followed by direct dilution of the enzyme into 0.1 M Tris-HCl pH 8.5, 0.2 M KCl, 0.4 ML-arginine and 5 mM reduced glutathione at 4°C. The determination of an effective method of obtaining …


Liquid Crystals Confined In Nanoporous Silica, Yang Gao Dec 2005

Liquid Crystals Confined In Nanoporous Silica, Yang Gao

Doctoral Dissertations

Confinement has a nontrivial effect on a condensed matter system due to the finite size effect, the surface effect and the induced disorder. Different techniques such as calorimetric measurement, dielectric spectroscopy, dynamic light scattering, X-ray scattering and quasi-elastic neutron scattering have been widely used to study this important topic. Confined liquid crystals (LCs) have attracted great attention in particular because they are a soft system and their physical properties are more easily affected by the geometrical confinement (entropic) effect and the surface interaction (energetic) effect. In this paper, we study the phase transitions and dynamic behavior of LCs, 5CB and …


Bench Scale Evaluation Of Dense Ceramic Membranes For Production Of High Purity Hydrogen From Gasification, Binay Kumar Singh Dec 2005

Bench Scale Evaluation Of Dense Ceramic Membranes For Production Of High Purity Hydrogen From Gasification, Binay Kumar Singh

Masters Theses

Gasification for production of hydrogen and other useful gases, has achieved increasing importance in recent years. The reactions involved in gasification are favored at high temperatures and they are also limited by thermodynamic equilibrium. The development of membranes which can separate these gases under gasifier exit gas condition will significantly improve process efficiency and economics and simultaneously provide for the recovery of valuable gases. The availability of a membrane with adequate hydrogen selectivity and good thermal and mechanical stability is the key for the successful application of membrane technology in hydrogen production and separation. This work introduces a special method …


A Microreactor System For Measuring Size Selectivity In Porous Wo3 Sensor Materials, Meng Lu Dec 2005

A Microreactor System For Measuring Size Selectivity In Porous Wo3 Sensor Materials, Meng Lu

Electronic Theses and Dissertations

Our interest in studying reactions catalyzed by high surface area W03 powders is based on their potential application as the active material in sensors for low level (ppb) detection of flammable or toxic gases. A series of porous W03 powders with both meso- and micro-porosity have been synthesized by Waghe and Tripp. Preliminary results of the response of sensors fabricated from these materials indicated the possibility of size selectivity on the molecular scale. To provide support for the hypothesis of size selectivity and understand the reaction kinetics of alcohols over the new porous W03 powders for sensor …


Green Engineering And Gate-To Gate Life Cycle Assessments For Pharmaceutical Products, Daniel Fichana Dec 2005

Green Engineering And Gate-To Gate Life Cycle Assessments For Pharmaceutical Products, Daniel Fichana

Theses and Dissertations

The research of this thesis focused on the environmental and processing metrics during the development of two different drugs. Previous research in life cycle assessments and green engineering have focused on other products and processes, but only a limited amount of studies have been conducted for pharmaceutical applications. This analysis concerned a gate-to-gate analysis of two distinct pharmaceutical products along with the development of a solvent selection table. The goal of this research was to determine how various processing and environmental metrics were affected by process improvements.

The first drug was the pravastatin, which was made via a fermentation route. …


Kinetics Of Cellulose Dissolution In N-Methyl Morpholine-N-Oxide And Evaporative Processes Of Similar Solutions, John William Tierney Dec 2005

Kinetics Of Cellulose Dissolution In N-Methyl Morpholine-N-Oxide And Evaporative Processes Of Similar Solutions, John William Tierney

Masters Theses

The lyocell process is an environmentally friendly process for producing regenerated cellulose fibers, but is not entirely understood. The lyocell process uses the hygroscopic solvent N-methyl morpholine N-oxide (NMMO) to dissolve cellulose; the resulting solution is often termed a lyocell solution [1-4]. It is the objective of this study to better understand the process by which cellulose dissolves and the nature of lyocell solutions. By observing the disappearance of cellulose fibers into the solvent, rate data may be obtained from which kinetic parameters may be developed. Additionally an independent method for determining the concentration of cellulose in lyocell solutions was …


Temperature Control Of The Online Rheological Sensor, Larry Scott Spencer Dec 2005

Temperature Control Of The Online Rheological Sensor, Larry Scott Spencer

Masters Theses

Rheometers are devices that can be used to measure the rheological properties of polymers. Online rheometers test for rheological properties during a polymer process. Real-time rheological data would eliminate any time delays that accompany off-line rheometers and would provide the feedback information needed for tighter polymer process control. A real-time control system would eliminate the need for an offline rheometer to analyze polymer product properties, thus saving both time and money.

The Online Rheological Sensor was used to estimate the shear and elongational viscosities of a polymer from measured variables during processing. The Online Rheological Sensor was mounted on a …


Reactivity Study Of Platinum Nanoparticles And Nanowires Inside The Channels Of Mesoporous Silica, Marcus R. Smith Nov 2005

Reactivity Study Of Platinum Nanoparticles And Nanowires Inside The Channels Of Mesoporous Silica, Marcus R. Smith

Chemical and Biological Engineering ETDs

Pt metal nanowires and nanoparticles were prepared using mesoporous silica as the template. Mesoporous silica with straight 1-dimensional, tortuous 1-dimensional and 3-dimensional channels was used. The experimental techniques included CO oxidation, Chemisorption, XRD, and STEM. CO oxidation and chemisorption provided the data to calculate the intrinsic reactivity, known as turn over frequency (TOF). Powder XRD was used to measure line broadening. The FWHM of the XRD line broadening was used with the Scherrer formula to determine Pt metal crystallite size. STEM images permitted for the measurement of the particle diameters, and the determination of morphology.

Two commercially available reference samples …


A New Method For The Rapid Calculation Of Finely-Gridded Reservoir Simulation Pressures, Benjamin Arik Hardy Nov 2005

A New Method For The Rapid Calculation Of Finely-Gridded Reservoir Simulation Pressures, Benjamin Arik Hardy

Theses and Dissertations

A new method for the determination of finely-gridded reservoir simulation pressures has been developed. It is estimated to be as much as hundreds to thousands of times faster than other methods for very large reservoir simulation grids. The method extends the work of Weber et al. Weber demonstrated accuracies for the pressure solution normally requiring millions of cells using traditional finite-difference equations with only hundreds of cells. This was accomplished through the use of finite-difference equations that incorporate the physics of the flow. Although these coarse-grid solutions achieve accuracies normally requiring orders of magnitude more resolution, their coarse resolution does …


Mpsa Effects On Copper Electrodeposition: Understanding Molecular Behavior At The Electrochemical Interface, Clint Gordon Guymon Nov 2005

Mpsa Effects On Copper Electrodeposition: Understanding Molecular Behavior At The Electrochemical Interface, Clint Gordon Guymon

Theses and Dissertations

In this work the structure of the electrochemical metal-liquid interface is determined through use of quantum mechanics, molecular simulation, and experiment. Herein are profiled the molecular dynamics details and results of solid-liquid interfaces at flat non-specific solid surfaces and copper metal electrodes. Ab initio quantum-mechanical calculations are reported and define the interatomic potentials in the simulations. Some of the quantum-mechanical calculations involve small copper clusters interacting with 3-mercaptopropanesulfonic acid (MPSA), sodium, chloride, bisulfate and cuprous ions. In connection with these I develop the electrode charge dynamics (ECD) routine to treat the charge mobility in a metal. ECD bridges the gap …


Properties Model For Aqueous Sodium Chloride Solutions Near The Critical Point Of Water, Bing Liu Oct 2005

Properties Model For Aqueous Sodium Chloride Solutions Near The Critical Point Of Water, Bing Liu

Theses and Dissertations

Traditional excess Gibbs energy models in terms of temperature, pressure, and concentration become progressively less effective in describing the thermodynamics of aqueous solutions at temperatures above 300 ¢ªC, and are totally inadequate in the critical region of water. This deficiency is due to the strong ion association and the large property fluctuations (such as density) with small variations in pressure, temperature, and solute concentration around the critical point of water. In this work, a speciation-based model has been developed to describe the thermodynamic properties of aqueous sodium chloride solutions in the critical region of water. The anomalous fluctuation problem is …


Development Of Palladium Nanowires, Chuanding Cheng Oct 2005

Development Of Palladium Nanowires, Chuanding Cheng

Doctoral Dissertations

Inherent limitations of traditional lithography have prompted the search for means of achieving self-assembly of nano-scale structures and networks for the next generation of electronic and photonic devices. The nanowire, the basic building block of a nanocircuit, has recently become the focus of intense research. Reports on nanowire synthesis and assembly have appeared in the scientific literature, which include Vapor-Liquid-Solid mechanism, template-based electrochemical fabrication, solvothermal or wet chemistry, and assembly by fluid alignment or microchannel networks. An ideal approach for practical application of nanowires would circumvent technical and economic constraints of templating. Here we report on the self-assembly of highly-ordered …


Investigation Of Solid Polymeric Hollow Fiber Heat Exchange Devices For Use In Thermally-Driven Desalination Processes, Saskia Christian Aug 2005

Investigation Of Solid Polymeric Hollow Fiber Heat Exchange Devices For Use In Thermally-Driven Desalination Processes, Saskia Christian

Theses

The heat exchange between hot brine (4 wt% NaCl) and cold water as well as between condensing steam and cold water without direct fluid-fluid contact using modules made out of solid polymeric hollow fibers of polypropylene (PP) and polyetheretherketone (PEEK) has been studied. The solid hollow fiber dimensions were 425μm/575μm (ID/OD) for PP and 420μm/570μm (ID/OD) for PEEK. Extensive heat transfer measurements have been performed and the experimentally-determined overall heat transfer coefficients utilized to isolate the wall heat transfer coefficient, the inside heat transfer coefficient and the outside heat transfer coefficient. The heat exchange between hot brine and cold water …


Synthesis And Characterization Of Polymer Nanocomposites, Nirav S. Patel Aug 2005

Synthesis And Characterization Of Polymer Nanocomposites, Nirav S. Patel

Theses

Polymer nanocomposites were produced by solution mixing of a commercial flexible acrylic polymer paint, with nanofillers of different size, shape, aspect ratio and purity such as hydrotalcite (HT), sodium montmorillonite (MMT), single wall carbon nanotubes (SWNT) and fullerenes (FUL), at 5 and 10 wt% loading. Structural characteristics and mechanical, thermal and barrier properties of the nanocomposites were characterized by different techniques and compared to those of the unfilled polymer.

The presence of partially exfoliated and intercalated nanoplatelets in the polymer resulted in increased 2% secant tensile modulus, and decreased tensile strength and elongation at break, to different extents. While the …


Generation Of Biomarkers From Anthrax Spores By Catalysis And Analytical Pyrolysis, Phillip R. Smith Aug 2005

Generation Of Biomarkers From Anthrax Spores By Catalysis And Analytical Pyrolysis, Phillip R. Smith

Theses and Dissertations

Anthrax spores, in weaponized form, are dangerous biological warfare agents. Handheld technology for the rapid detection of anthrax is greatly needed to improve national security. Methods to detect anthrax spores are diverse, with most taking at least an hour for positive identification. A viable option for rapid detection is analytical pyrolysis (AP), which produces chemicals containing taxonomical information (biomarkers). AP methods are reviewed and critically analyzed to show that reproducible detection of anthrax spores in a rapid manner (< 5 min) with a handheld device is not currently possible. A promising alternative to AP is the use of a catalyst to produce biomarkers from anthrax spores with improved selectivity and reproducibility. Catalytic materials having promise for this include platinum, nickel, and superacids. Experiments evaluating several of these materials are described. A biomarker mass spectral library was created, based on information available in the scientific literature, to facilitate analysis and identification of the biomarkers produced experimentally. The RAMFAC algorithm was used to deconvolute chromatographic peaks to produce clean mass spectra and match them against entries in the biomarker library. While the library is not complete, its use with the RAMFAC algorithm enabled detection of many important biomarkers in experiments involving catalytic breakdown of anthrax spores. Experimental results from preliminary tests of several catalysts are presented and discussed. Addition of catalysts in the form of platinum nanoclusters and superacids to bacterial spores in a commercial pyrolyzer effected an increase in the amount of biomarkers produced at mild conditions over traditional pyrolysis methods. Electroformed nickel mesh, on the other hand, demonstrated low catalytic activity for the production of biomarkers, likely due to poor contact of the spores with the mesh. Biomarkers similar to those published in the literature were observed, including dipicolinic acid, picolinic acid, propionamide, acetamide, diketopiperazines, fatty acids, furfuryl alcohol, and DNA bases. A statistically designed factorial study was used to determine the importance of temperature, spore loading, and nanocluster loading on the production of three important biomarkers. The relative importance of these variables differs for each of the three important biomarkers, suggesting they are produced by different reaction mechanisms.


Effects Of Pressure On Coal Pyrolysis At High Heating Rates And Char Combustion, Dong Zeng Aug 2005

Effects Of Pressure On Coal Pyrolysis At High Heating Rates And Char Combustion, Dong Zeng

Theses and Dissertations

Clean coal technologies are now becoming popular because of their high efficiencies and minimal environmental impact. Higher operating pressures have been applied to clean coal technologies. The effect of pressure on coal pyrolysis and char combustion has been extensively studied but still remains to be further explored. The objective of this project was to characterize high pressure, high heating rate coal pyrolysis and char combustion, with emphasis on improving coal/char high pressure combustion models. A flat-flame burner was used in a high pressure laminar flow facility to conduct high temperature, high heating rate pyrolysis and combustion experiments for four coals. …


Studies In Rheology: Molecular Simulation And Theory, Chunggi Baig Aug 2005

Studies In Rheology: Molecular Simulation And Theory, Chunggi Baig

Doctoral Dissertations

With an enormous advance in the capability of computers during the last few
decades, the computer simulation has become an important tool for scientific researches in many areas such as physics, chemistry, biology, and so on. In particular, moleculardynamics (MD) simulations have been proven to be of a great help in understanding the rheology of complex fluids from the fundamental microscopic viewpoint. There are two important standard flows in rheology: shear flow and elongational flow. While there exist suitable nonequilibrium MD (NEMD) algorithms of shear flows, such as the Lees-Edwards purely boundary-driven algorithm and the so-called SLLOD algorithm as a …


Study Of Rheological Properties Of Polymeric Liquids By Using Multiple-Mode Models, Bangwu Jiang Aug 2005

Study Of Rheological Properties Of Polymeric Liquids By Using Multiple-Mode Models, Bangwu Jiang

Doctoral Dissertations

Knowledge of the rheological properties of non-Newtonian fluids is critical for modeling in polymer-processing equipment such as injection molders, extruders, and blow molders. Rheological measurements can be obtained through standard flows, such as shear flow and elongational flow. In our research, we modeled the rheological properties of polymeric fluids in several types of experiments: transient and steady shear flow, small amplitude oscillatory shear flow, transient elongational flow, and step-strain shear flow.

The accuracy of modeling calculations depends critically on the performance of the rheological model used. Differential constitutive models with a single relaxation time can be used for exploratory fluid …


Experimental Study Of Slip Flow In The Semi-Hyperbolically Converging Dies, Prajakta Kamerkar Aug 2005

Experimental Study Of Slip Flow In The Semi-Hyperbolically Converging Dies, Prajakta Kamerkar

Doctoral Dissertations

This dissertation contains a collection of the results from three different projects.

Part I: Experimental Study of Slip Flow in the Semi-hyperbolically Converging Dies

Elongational flow fields are of immense importance in the polymer processing industry as the elongational flow used in processes such as fiber spinning, film blowing, melt drawing, etc., produces the desired degree of polymer orientation so that the final products have the target properties of toughness and durability. Although these processes are widely used, it is very difficult to characterize the extensional rheological properties of polymers, such as elongational viscosity. This can be attributed to the …


Cost Effective Human Protein C Purification From Cohn Fraction Iv-1 Using Mini-Antibody., Doh Gyeuhn Ahn 1969- Aug 2005

Cost Effective Human Protein C Purification From Cohn Fraction Iv-1 Using Mini-Antibody., Doh Gyeuhn Ahn 1969-

Electronic Theses and Dissertations

Protein C (PC) is an important anticoagulant, antithrombotic, and antiinflammatory in blood plasma. PC deficiency can lead to severe venous thrombotic events, including lung embolism, stroke, and heart attack. In the body, PC is activated only when it is needed, and, therefore, PC does not cause bleeding problems that currently available anticoagulants may do. Purification of PC from plasma is currently done by immunoaffinity chromatography using monoclonal antibodies (Mabs), which is very expensive. Single chain variable regions (mini-Mab) with a PC binding capability, which can be produced in recombinant E. coli , were developed for PC purification. Compared to Mabs, …


Evaluation Of Seal Integrity Of Flexible Food Polytrays By Destructive And Non-Destructive Techniques, Kshitish A. Patankar Aug 2005

Evaluation Of Seal Integrity Of Flexible Food Polytrays By Destructive And Non-Destructive Techniques, Kshitish A. Patankar

Masters Theses

The companies which supply military ration packages (MRP) have been suffering significant loss due to high rejection rate (more than 20 %) by the military. The standards set by the military, as far as acceptance of packages is concerned, are very high and conservative. The means employed are also based mostly on visual observation. The aim of the project is to quantitatively device test which reduce the high rejections the companies are incurring. Thus the drive behind this project is to determine the extent to which certain defects affect the seal strength of food trays.

Earlier work on this project …


Thermophysical Properties Of The Amyloid Beta Protein From Differential Scanning Calorimetry, Donald Edward Hicks Aug 2005

Thermophysical Properties Of The Amyloid Beta Protein From Differential Scanning Calorimetry, Donald Edward Hicks

Masters Theses

The amyloid beta (Aβ) protein is thought to play a major role in Alzheimer's Disease. Alzheimer's Disease is a late onset, progressive process associated with Aβ protein deposits and neurofibrillary tangles (Taylor 2003). Alzheimer's Disease is the most prevalent dementia (over 2/3 of all cases) in the developing world and the third leading cause of natural death in the United States (Walsh, 2001). Alzheimer's Disease is one of the amyloid diseases which are characterized by at least twenty proteins that aggregate to form insoluble fibrils with β-sheet secondary structure that affects humans and animals alike (Walsh, …


Electron Beam Cured Resins For Wood Composites, Ting Song Aug 2005

Electron Beam Cured Resins For Wood Composites, Ting Song

Masters Theses

Adoption of rapid, low temperature electron beam curable resin systems provide a great potential for energy saving to the wood composites industry. Other considerable advantages benefit from the radiation progression including: cost saving, reduction curing time, increased throughout capacity, minimal volatile emissions, increased the design flexibility.

The research was mainly focused on radiation dose optimization, resin structure-property relationships investigation, and resin-wood bonds evaluation. Resin chemical, physical, and mechanical properties were explored in detail by means of various testing methods. The formulating studies were concentrated on the radiation curable monomers (polyfunctional and monofunctional) and their effects to the network performance. Mechanical …


Study Of Secondary Electron Emission From Niobium At Cryogenic Temperatures, Anoop George Aug 2005

Study Of Secondary Electron Emission From Niobium At Cryogenic Temperatures, Anoop George

UNLV Theses, Dissertations, Professional Papers, and Capstones

The objective of this project is to study the properties of secondary electron emission from niobium samples, cleaned at the Los Alamos National Laboratory, at cryogenic temperatures to enhance existing multipacting codes with data on the samples. The predominant cause of power loss in radio-frequency superconducting accelerators cavities is multipacting. This project studies the secondary electron distribution from niobium metal due to incident primary electrons. The experiments on the niobium sample are performed in an environment close to that present in a superconducting accelerator cavity.

The experiment is performed in a vacuum chamber capable of achieving ultra high vacuum levels …


Biofilm Removal Using Bubbles And Sound, Michael R. Parini Jul 2005

Biofilm Removal Using Bubbles And Sound, Michael R. Parini

Theses and Dissertations

Bacteria in biofilms adhere well to surfaces and are quite difficult to remove. Oral plaque is one example of a biofilm. Many researchers have studied ways to remove plaque and bacteria from surfaces. It has been found that the passage of a bubble across a surface to which bacteria has adhered can remove the bacteria from the surface. Biofilms of Streptococcus mutans were grown on glass coverslips as a simple model for oral plaque. The coverslips were mounted in a Plexiglas chamber filled with artificial saliva. A bubble stream was directed at the mounted biofilm. The velocity, gas fraction, median …


Autologous Fibrinogen Purification And Concentration For Use In Fibrin Sealant, Steven M. Alston Jun 2005

Autologous Fibrinogen Purification And Concentration For Use In Fibrin Sealant, Steven M. Alston

Theses and Dissertations

Fibrinogen concentrates are used widely as a sealant during and after surgery to reduce blood loss. Commercially available fibrin sealants are made from pooled human blood, which carries the risk of blood-borne diseases, and are expensive. These concerns have brought to focus the need for autologous fibrinogen concentrates. This need has been addressed by utilizing a unique approach in which fibrinogen is precipitated from plasma with protamine. The physical properties of fibrin sealant prepared from fibrinogen precipitated with protamine were evaluated. The optimal precipitation conditions included a plasma protamine concentration of 10 mg/mL at room temperature. Under these conditions 96% …


Risk Management For The Construction Of Power Plants In Egypt, Amir Ibrahim Abouseif Jun 2005

Risk Management For The Construction Of Power Plants In Egypt, Amir Ibrahim Abouseif

Archived Theses and Dissertations

No abstract provided.


Stable Polymer Micelle Systems As Anti-Cancer Drug Delivery Carriers, Yi Zeng Jun 2005

Stable Polymer Micelle Systems As Anti-Cancer Drug Delivery Carriers, Yi Zeng

Theses and Dissertations

Several temporarily stable polymer micelle systems that might be used as ultrasonic-activated drug delivery carriers were synthesized and investigated. These polymeric micelle systems were Plurogel®, Tetronic®, poly(ethylene oxide)-b-poly(N-isopropylacrylamide) and poly(ethylene oxide)-b-poly(N-isopropylacrylamide-co-2-hydroxyethyl methacrylate-lactaten). In previous work in our lab, Pruitt et al. developed a stabilized drug carrier named Plurogel® [5, 6]. Unfortunately, the rate of the successful Plurogel® synthesis was only about 30% by simply following Pruitt's process. In this work, this rate was improved to 60% by combining the process of adding 0.15 M NaCl and/or 10 µl/ml n-butanol and by preheating the solution before polymerization. Tetronics® were proved not …


Optimization Of Sequential Purification Of Beta-Glucosidase From Tricoderma Reesei In Aqueous Two-Phase System, Shalini Gautam May 2005

Optimization Of Sequential Purification Of Beta-Glucosidase From Tricoderma Reesei In Aqueous Two-Phase System, Shalini Gautam

Dissertations

A novel sequential technique was developed for the purification of a valuable enzyme, beta-glucosidase, from microorganism Tricoderma reesei. The fungus T. reesei produces cellulose degrading enzymes, called cellulases: beta-glucosidase, endo-glucanase and exo-glucanase and low molecular weight proteins. For specific applications, the enzyme must be separated from other contaminants. The sequential technique, that included affinity precipitation with chitosan followed by separation with an aqueous two-phase system (ATPS), was implemented for the purification of beta-glucosidase from the culture filtrate of T. reesei.

The cultivation medium (nutrient) was optimized for the production of betaglucosidase from T. reesei cell culture. Treatment of the …


Fluid-Phase Thermodynamics From Molecular-Level Properties And Interactions Based In Quantum Theory, Steven G. Arturo May 2005

Fluid-Phase Thermodynamics From Molecular-Level Properties And Interactions Based In Quantum Theory, Steven G. Arturo

Dissertations

A methodology to predict the thermodynamics of macroscopic fluid systems from quantum chemistry and statistical thermodynamics has been developed. This work extends the group-contribution concepts most utilized in chemical engineering. Computational chemistry software is used to define the geometries and electron density profiles of target molecules. Atoms in Molecules theory and associated software packages are used to calculate rigorous properties of the functional groups within molecules of interest. These properties are incorporated into an intermolecular potential energy function which describes interactions between entire molecules as a set of interactions between functional groups. This information is applied to a lattice-fluid model …