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Title: Small molecule growth inhibitors from Albatrellus flettii and Sarcodon scabripes native to British Columbia
Contributors: Almas Yaqoob (author), Chow Lee (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Keith Egger (committee member), Hugues Massicotte (committee member), Kerry Reimer (committee member)
Abstract: The first part of this thesis investigated the growth-inhibitory and immunomodulatory potential of six wild Canadian mushrooms. Out of 24 crude extracts, six showed strong growth-inhibitory activity, two exhibited strong immuno-stimulatory activity and nine demonstrated potent anti-inflammatory activity. The second part of this thesis involved purification and characterization of growth-inhibitory compounds from Albatrellus flettii. Liquid-liquid extraction, Sephadex LH-20 and HPLC-Mass Spectrometry (HPLC-MS) were used to purify the three compounds of interest. NMR analyses confirmed their identity as grifolin, neogrifolin and confluentin. Grifolin and neogrifolin inhibited IMP1-KRas RNA interaction as demonstrated using an in-vitro fluorescent polarization assay. The three compounds suppressed KRas expression in SW480 and HT-29 human colon cancer cells. Confluentin, shown for the first time, to induce apoptosis and arrest cell cycle in SW480 cells. The third part of this thesis involved the development of methods to purify growth-inhibitory compounds from Sarcodon scabripes. HPLC-MS detected some potential novel compounds.
Discipline: Biochemistry
Content Model: info:fedora/ir:thesisCModel
Date added: 2019

Title: Spiropyrrolizidine and piperazine derivatives
Contributors: Victor P. Liu (author), Chow Lee (thesis advisor), Tina Bott (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Guy Plourde (committee member), Kerry Reimer (committee member)
Abstract: KRAS-driven cancers are notoriously difficult to treat due to poor pharmacodynamics of downstream inhibitors and resistance to anti-EGFR drugs. IMP-1 is a post-transcriptional regulator of KRAS mRNA. As a novel therapeutic approach, the targeting of the IMP-1-KRAS mRNA complex with a spiropyrrolizidine derivative (UNBC152), was studied. LC-MS analysis of UNBC152 indicated presence of impurities. The purpose of this study was to synthesize UNBC152 and determine the responsible bioactive molecule within the impurities. LC-MS and TLC suggested the presence of a bioactive [3+3] cycloaddition side product (SPOPP) in UNBC152. SPOPP suppressed KRAS expression in human colorectal cancer cells. Fluorescence polarization determined that SPOPP did not impact the IMP-1-KRAS mRNA interaction. SPOPP induced G2/M cell cycle arrest as shown by flow cytometry. MTT assay confirmed the SPOPP-induced growth inhibition in SW480 (IC50 = 4.17 μM) and HT29 (IC50 = 6.76 μM). These findings represent a first reporting on the bioactivity of SPOPP.
Discipline: Biochemistry
Content Model: info:fedora/ir:thesisCModel
Date added: 2019

Title: Treatment of chromium contaminated soil by co-pyrolysis with rice straw
Contributors: Yimeng Chen (author), Ron Thring (thesis advisor), Hualin Chen (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Jianbing Li (committee member)
Abstract: The direct discharge of tannery waste and effluent could result in severe chromium (Cr) contamination in soils. This study focused on the remediation of Cr-contaminated soil via co-pyrolysis with rice straw. The influence of co-pyrolysis temperature, rice straw / soil mixing ratio and reaction time on Cr immobilization were investigated. Compared to untreated soil, the leachable Cr and total Cr(VI) in co-pyrolyzed soil were decreased by up to 95 % and 86 %, respectively. With increasing temperature and rice straw addition, the leachable Cr and total Cr(VI) were reduced. Reaction time did not show a significant effect on Cr immobilization. The time-varying desorption test indicated that the equilibrium amount of released Cr in various extractants was inhibited by co-pyrolysis. The Simple Bioaccessibility Extraction Test also showed that the bioaccessible Cr in the gastric phase was decreased after co-pyrolysis. The results suggested that co-pyrolysis was beneficial on Cr immobilization.
Discipline: Natural Resources & Environmental Studies
Content Model: info:fedora/ir:thesisCModel
Date added: 2019

Title: Development of modified natural zeolites and study of phosphate removal from aqueous solutions
Contributors: Saki Kondo (author), Ron Thring (thesis advisor), Hossein Kazemian (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Chris Opio (committee member)
Abstract: Lake eutrophication has been an issue in many countries including Canada. Controlling and reducing the level of phosphorus, which is available as a form of phosphate in water, have been studied to manage the lake eutrophication. Natural zeolite-based adsorbents are one of the best candidates for water treatment due to its wide availability, cost-effectiveness, and superior characteristics as an ion exchanger. In this study, the concept of struvite crystallization was employed to develop magnesium-ammonium-modified zeolites (MNZ). Their removal capacity of phosphate was tested with comparison of magnesium-modified zeolites (MZ) based on the design of experiments (DOE) and response surface methodology (RSM). According to RSM, MNZ was found to be more effective in removing phosphates from aqueous solutions up to 92% of removal since MZ was effective up to 46% of removal. Contact time and zeolite dosage were found to be the significant parameters on phosphate removal.
Discipline: Natural Resources & Environmental Studies
Content Model: info:fedora/ir:thesisCModel
Date added: 2019

Title: Multi-layer perceptron - markov chain based geospatial analysis of land use and land cover change
Contributors: Lei Shen (author), Jianbing Li (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Roger Wheate (committee member), Jun Yin (committee member)
Abstract: This thesis study analyzed the land use and land cover (LULC) changes in Stoney Creek Watershed, BC, Canada using the combination of remote sensing, GIS and modeling approaches. The Object-Based Image Analysis (OBIA) tool in PCI Geomatica 2017 software was applied to generate unsupervised classification LULC maps using Landsat TM and OLI images of the years 1986, 1999 and 2016. Various band ratio were computed to improve different classification results. Esri ArcMap 10.5 was used to produce all the LULC maps for subsequent modeling. A modeling method using Multi-layer perceptron (MLP) neural network and Markov Chain (MC) was performed to predict LULC changes in 2026, using hard and soft prediction results. The outcomes of this study could provide valuable information of LULC patterns and dynamics for supporting both environmental and economic development in this area.
Discipline: NRES-Environmental Science
Content Model: info:fedora/ir:thesisCModel
Date added: 2019

Title: Hydro-climatological Trend Analysis and Influences on the Discharge in the Elk River Watershed, Southeast British Columbia
Contributors: Krisitna Simone Anderson (author), Philip Owens (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Stephen Déry (Committee member), John Rex (Committee member)
Abstract: Hydro-climatological modelling in mountainous environments is difficult due to topographic and climatic variability. Therefore, observed data (1970-2009) were used to assess trends in the Elk River watershed, a region experiencing growth of its open-pit coal mining industry. The Mann-Kendall trend test identified a decrease in snow throughout the watershed, small increase in rain, and overall decrease in northern precipitation. Moreover, mid-basin increase in temperature was detected. An increase in the Fording River winter discharge, counteracted the summer decrease in total watershed discharge from 1970-1989. Linear modelling identified baseflow, precipitation, and atmospheric teleconnection patterns as strong discharge drivers; whereas, the double mass curve identified a precipitation and discharge relationship change starting after 2007. Unfortunately, efforts to incorporate the Soil Water Assessment Tool proved unsuccessful for this watershed. Overall, these hydro-climatological trends were not as synchronized as expected likely due to other variables, such as watershed buffering capabilities and/or land-cover change.
Discipline: NRES-Environmental Science
Content Model: info:fedora/ir:thesisCModel
Date added: 2016

Title: Examining the climate for Aboriginal mothers in neonatal intensive care units (NICUs): an exploratory qualitative study about views of health care professionals
Contributors: Minette Marcotte (author), Arthur Fredeen (Thesis advisor), Sarah de Leeuw (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Lela Zimmer (Committee member), Vincent Arockiasamy (Committee member)
Abstract: This thesis presents a qualitative exploratory ethnographic study that examines views of a small number of health care professionals towards Aboriginal mothers at risk for child apprehension within two neonatal intensive care units (NICUs) in two different hospitals. This research investigates the question “what are the views and feelings of various health care professionals towards Aboriginal mothers in the NICU, and, in conjunction with various social discourses, how (or do) those views and feelings possibly affect apprehension outcomes in the NICU?” ...
Discipline: Health Sciences
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: Causes and consequences of blue-green eggshell colour variation in mountain bluebirds (Sialia Currucoides)
Contributors: Jeannine A. Randall (author), unknown unknow (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), unknown unknown (Committee member)
Abstract: The function and evolution of ornamental traits has been a major focus of evolutionary ecology. Despite this, female ornaments have received relatively little consideration, and are still poorly understood relative to those produced by males. However, presently, there is much interest in determining how sexual selection shapes female phenotypes. Blue-green eggshell colour, derived from the antioxidant pigment biliverdin, is one attribute produced by female birds that has come under scrutiny as a potentially sexually selected trait. Based on the possibility that biliverdin is limited and costly to produce, the sexually selected egg colour hypothesis predicts that blue-green egg colour has evolved in species with biparental care as an advertisement of female quality that elicits increased paternal effort from their social mate... .
Discipline: NRES-Biology
Content Model: info:fedora/ir:thesisCModel
Date added: 2016

Title: Spatial and trophic biomonitoring of trace metals in aquatic environments following the Mt. Polley Mine tailings spill
Contributors: Aaron B. Zwiebel (author), Ellen Petticrew (thesis advisor), Phil Owens (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Sam Albers (committee member)
Abstract: A large (~25 M m3) copper-gold tailing spill occurred in 2014 at the Mt. Polley Mine, which released solid and liquid waste and caused a debris flow into nearby Polley Lake and Quesnel Lake. This study examined the spatial and trophic patterns of trace elements in water bodies impacted by the spill between April and November 2016. Concentrations of trace metals in biofilm, invertebrates, sediments, and water were measured and analyzed using DGT and ICP-MS. Trophic positioning of sampled organisms was established using invertebrate functional feeding groups, and stable isotope ratios. Spatial results indicated that copper and vanadium concentrations in biofilm and invertebrates at impacted environments regress significantly with distance to the spill. Trophic results show evidence of copper bioaccumulation and selenium trophic magnification in biofilm and invertebrates from impacted waters. These effects appear to have seasonal variations, with stronger trophic and spatial relationships during spring overturn of Quesnel Lake.
Discipline: NRES-Environmental Science
Content Model: info:fedora/ir:thesisCModel
Date added: 2019

Title: Computing ethics: the case for codes of ethics and privacy policies
Contributors: Laura Pauline Nyanchama Kombo (author), Todd Whitcombe (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Chris Opio (Committee member), Iliya Bluskov (Committee member)
Abstract: Ethics and privacy are integral to life although limited research has been conducted relative to global codes of ethics and privacy policies of corporations. This piqued the interest on this research where the first contribution examines codes of ethics worldwide. It compares codes of different societies to IEEE and proposes changes which address issues of diversity, culture, and sociopolitical differences. Four countries have adopted the IEEE codes of ethics, while 28 countries have some variations. A global code of ethics would be useful in a world without borders. The second contribution introduces new guidelines for Canadian corporations regarding privacy policies. It examines the compatibility and compliance of corporate privacy policies with PIPEDA. An examination of the corporations revealed only 1,017 have public-facing privacy policies on their websites and some do not seem to satisfy all PIPEDA principles. New guidelines will help to ensure a better compliance with PIPEDA by corporations.
Discipline: Computer Science
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: Spatial factors influencing northern mountain caribou (Rangifer tarandus) survival and distribution in the Telkwa Range
Contributors: Laura Vivian Grant (author), Christopher Johnson (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Michael Gillingham (Committee member), Conrad Thiessen (Committee member)
Abstract: Human-induced habitat alteration has led to the decline of woodland caribou (Rangifer tarandus caribou) populations across Canada. The many challenges in conserving caribou are exemplified by a herd of northern mountain caribou in the Telkwa Range of central British Columbia. Despite population augmentation in the 1990s, this herd has declined to 18 individuals, yet mechanisms driving this decline are largely unknown. I used location data from caribou collared between 1991–2015 to investigate the influence of human disturbances – including forestry, roads, and recreation – on survival (N = 224) and habitat selection (N = 76). Results suggested that the decline of this herd was largely driven by a shift in predator prey dynamics following forest harvest. Further exacerbating the decline were the cumulative effects of disturbance in the Telkwa Range. Roads, recreation, and forestry influenced the distribution of the Telkwa caribou herd, ultimately affecting habitat availability and the ability of caribou to successfully manage predation risk.
Discipline: NRES-Biology
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: Terahertz spectroscopy of nitric oxide for emissions monitoring in bioenergy systems
Contributors: Ahmed Adel Nasreldin Mohamed (author), Mark Shegelski (Thesis advisor), Matthew Reid (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Kerry Reimer (Committee member), Erik Jensen (Committee member), Hossein Kazemian (Committee member)
Abstract: The aim of this thesis is to study pollutants that are emitted from combustion systems using Terahertz time domain spectroscopy (THz-TDS). In particular, this thesis will focus on Nitric Oxide (NO), which is present in flue gases and contributes to air pollution. It is also interesting from a Physics perspective because it contains an unpaired electron in the valence shell, which leads to a complicated energy level structure, and interesting Physics. In this thesis, we aim to answer the question: “what is the detection limit of NO, using THz-TDS, and is it suitable for industrial emissions monitoring?” It is therefore necessary to look at detection limits, which in turn requires conducting THz spectroscopy at different gas pressures. ...
Discipline: Physics
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: British Columbian wild mushrooms as potent source of novel natural anti-cancer compounds
Contributors: Ankush A Barad (author), Chow Lee (Thesis advisor), Kerry Reimer (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Hugues Massicotte (Committee member), Keith Egger (Committee member)
Abstract: Worldwide, many fungal species have been used for their medicinal properties by various cultures for centuries. Major challenges with cancer chemotherapy, which includes toxicity, non-specificity and several adverse effects have motivated researchers to search for novel anti-cancer compounds from natural sources. Several studies have identified various anti-cancer compounds from mushrooms in many parts of the world, but mushrooms occurring in British Columbia remain unstudied for their anti-cancer activities. In this thesis, five mushroom species were collected, extracted, and assessed for anti-proliferative and immuno-stimulatory activities. Eleven extracts from these species showed anti-proliferative or immuno-stimulatory activity or both. Sodium hydroxide extract from Paxillus obscurisporus exhibited potent anti-proliferative activity and was further purified using size-exclusion and anion-exchange chromatography. Analysis of the relatively pure anti-proliferative fractions suggests the presence of protein and glycoprotein moieties. Further purification and characterisation is needed before these compounds can be tested for biomedical purposes in the future.
Discipline: Biochemistry
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: The movement of marine-derived nutrients from a salmon spawning river to a nursery lake
Contributors: Jacob Duros (author), Ellen Petticrew (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Samuel Albers (committee member), Svein Vagle (committee member)
Abstract: Salmon play a key role in the redistribution of marine-derived nutrients (MDNs) in aquatic and terrestrial ecosystems. Research conducted on the movement and storage of MDNs in aquatic systems throughout the Pacific Northwest seem to vary in whether MDNs have a beneficial, neutral, or detrimental impact. Using Horsefly Bay (Quesnel Lake), the mechanism and driving factors for the delivery and dispersion of MDNs were evaluated. Higher concentrations of marine-derived nitrogen and carbon were found to enter this nursery system in the fall spawning period. However, due to the increased water discharge, it was found that the load of marine-derived nitrogen and carbon was higher during the spring freshet study period. These increases in MDNs were found to correlate with chlorophyll-a and fluorescence levels which indicate increases in productivity. Increased production can support the growth and survivorship of juvenile salmon rearing in this nursery system through bottom-up trophic transfer.
Discipline: NRES-Environmental Science
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: Parasite-host interactions between Protocalliphora Spp. (Diptera: Calliphoridae) and tree swallows Tachycineta bicolor
Contributors: Daniel Williams (author), Russ Dawson (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Dezene Huber (committee member), Erin O'Brien (committee member)
Abstract: Many host-parasite relationships exist, and while some have been studied extensively, for others, our understanding of the influences the parasite and host impose on each other is limited. Ectoparasites live in close proximity to their host, often living on the host or within the nest of their host, and so are influenced not only by the individual host they exploit, but by the habitat choices of their host as well. Bird blow flies in the genus Protocalliphora (Diptera: Calliphoridae) are ectoparasites of the altricial young of many species of birds; the nests of tree swallows Tachycineta bicolor in particular are frequently infested by a number of species of Protocalliphora. Through the use of baited traps, experimental manipulation of the nests and nest sites of hosts, and observing the behaviours of adult tree swallows, I studied: (1) host location and host selection strategies of blow flies by testing the importance of nest feathers to blow flies; (2) the influence of the density and distribution of hosts and a reduction in available hosts on the size and density of parasites; (3) individual host selection; (4) the effect of sanitation behaviour by hosts on the size and density of blow flies. Traps baited with potential cues used by blow flies in host location were unsuccessful in attracting blow flies; however, traps installed in nests containing nestlings successfully captured adult blow flies, suggesting that a specific concentration or combination of cues may be necessary to attract blow flies. Additionally, the number of blow flies per nestling in nests where preen oil was removed from feathers used in nest construction was significantly higher than in control nests, which suggests that preen oil may play a role in masking olfactory cues used by blow flies to locate hosts. No clear influence of the number of occupied neighbouring nest boxes on the density of blow flies in nests was observed, although size (i.e., length) of pupae decreased as the number of occupied neighbouring nest boxes increased. A reduction in available hosts resulted in an increase in the number of blow flies per nestling, and unexpectedly, an increase in the weight of larvae and weight and body length of adults, perhaps because of higher quality hosts acquiring the remaining nest sites over lower quality hosts. The ability of blow fly larvae to feed and acquire resources from nestling tree swallows did not appear to be influenced by previous exposure of hosts to parasites, although lighter larvae were more likely to feed than heavier larvae, and acquired a larger blood meal. There also was evidence that the size of the blood meal varied among species of blow fly. The presence of blow flies in the nest did not appear to influence the rate or time spent performing sanitation behaviour by adult tree swallows, and there was similarly no significant influence of sanitation behaviour of hosts on density or size of blow flies, although there was some suggestion of a negative influence on the length of adult blow flies. Overall, more research is needed to understand better the host location strategies of blow flies. While the influence of hosts on the size of blow flies may be subtle, a positive influence was much more apparent after a reduction in available hosts, which may have unknown effects on future generations of hosts and implications for conservation efforts of hosts.
Discipline: NRES-Biology
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: Conservation and consumption : conflicted bedfellows in sea turtle conservation
Contributors: Cherise Anne Chrispen (author), Zoe Meletis (thesis advisor), Tracy Summerville (committee member), Philip Mullins (committee member), University of Northern British Columbia College of Science and Management (Degree granting institution)
Abstract: This thesis explores relationships between consumption and conservation, via a case study of North American conservationists. I conducted an online survey (n=24), and examined respondent statements about their own consumption and that of others. Here, I consider these within contexts of community messaging, and related literatures (political ecology; consumption studies; social marketing). Four key themes emerge: 1) a primarily negative association with the term consumption, which influences and limits engagements with consumption; 2) mixed messaging about some encouraged consumption (e.g. sustainable seafood is promoted within this community, but is debated by respondents and researchers); 3) over-confidence in information provision as key to changing consumer behaviour, despite evidence to the contrary; and 4) limited recognition of ISTCC community success and power with respect to promoting and benefitting from “consuming to conserve” activities. This thesis ends with academic and applied recommendations for more comprehensive engagements with intersections between consumption and conservation.
Discipline: NRES-Geography
Content Model: info:fedora/ir:thesisCModel
Date added: 2018

Title: Gridsim: a flexible simulator for grid integration study
Contributors: Suresh Rathnaraj Chelladurai (author), Alex Aravind (Thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Matthew Reid (Committee member), lliya Bluskov (Committee member)
Abstract: Global warming and the increasing cost of fossil fuels have driven researchers to focus on renewable and cleaner sources of energy like wind, water, and solar. These energy sources show promise for sustainability and reduced greenhouse gas emissions, the only disadvantage of them is that they are intermittent and currently expensive. Measuring the impact of integrating new energy sources into an existing grid system is not feasible. Therefore, Modeling and Simulation becomes an indispensable approach. Several tools exist for modeling and simulation of the power grid. They primarily focus on analyzing smart grids and are complex to use for integration studies. Designing and implementing software that allows the users to model and simulate power grid system for integration study is the primary motivation of this thesis. We propose, GridSim, an easy, intuitive software to perform grid integration analysis and its use is illustrated through case studies.
Discipline: Computer Science
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: Inhibitors of CRD-BP-KRAS RNA interaction
Contributors: Chuyi Wang (author), Chow Lee (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Kerry Reimer (committee member), Brent Murray (committee member)
Abstract: The KRAS mRNA is one of few oncogenic mRNAs that can be recognized and bound by the RNA-binding protein called Coding Region Determinant-Binding Protein (CRD-BP). Binding of CRD-BP to oncogenic mRNAs can ultimately increase the possibility of tumor occurrence. Given that CRD-BP is only expressed in adult cancers but not in normal tissues, targeting the CRD-BP-mRNA interaction is a good anti-cancer strategy. To study CRD-BP-KRAS mRNA interaction and to search for inhibitors of such interaction, a safe, sensitive and high throughput-based fluorescence polarization (FP) method was developed. By using a 44 nts fluorescein-labeled KRAS RNA, a library of 217 small molecules was screenedfor their ability to inhibit CRD-BP-KRAS RNA interaction. Finally, candidate small molecule inhibitors as well as effective antisense oligonucleotides (AONs) against KRAS RNA were assessed for their ability to suppress KRAS gene expression in cancer cells.
Discipline: Biochemistry
Content Model: info:fedora/ir:thesisCModel
Date added: 2016

Title: Speckle pattern based single pixel imaging
Contributors: Patrick Kilcullen (author), Matthew Reid (thesis advisor), Mark Shegelski (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution), Edward Dobrowolski (committee member)
Abstract: This thesis introduces a new modality for terahertz single pixel imaging which takes advantage of compressive sensing techniques and random speckle patterns. This proposed modality offers a new trade-off in complexity and speed in comparison to current imaging systems with the introduction of a spatial light modulator that is minimally simple and inexpensive. Experimental results are obtained exhibiting the successful application of this technique. Extensions and applications of the proposed technique are also discussed.
Discipline: Physics
Content Model: info:fedora/ir:thesisCModel
Date added: 2017

Title: A quasiclassical trajectory study of H2 + H2 energy transfer: a survey of applicability of detailed balance
Contributors: Mosammat Hasina Akter (author), Margot Mandy (thesis advisor), University of Northern British Columbia College of Science and Management (Degree granting institution)
Abstract: State-to-state cross sections and a survey of detailed balance for transitions among the vibrational and rotational (v; j) states of H2 1Pg+ below 37 mEh as the result of collisions in the H2 + H2 system were determined by using the quasiclassical trajectory (QCT) method. Study of this system is necessary for an improved under-standing of the kinetics in the interstellar medium to model processes occurring in the molecular clouds. The potential energy surface of Boothroyd et al. (J. Chem. Phys. 116, 666, 2002) was used for trajectory calculations. The Discrete Variable Explicit Runge-Kutta (DVERK) method was used for numerical integration. State-to-state cross sections were examined for agreement with microscopic reversibility. In the majority of cases the agreement was poor. Consequently the conclusion is that QCT is not a viable method for the evaluation of state-to-state rate coefficients in the H2 + H2 system.
Discipline: Chemistry
Content Model: info:fedora/ir:thesisCModel
Date added: 2016

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