Mitigating greenhouse gas emissions from the Swedish industry is central in reaching set up environmental goals on a national level and fighting climate change that results in economic, environmental and social disasters on a global scale. The efforts of mitigating greenhouse gas emissions from the Swedish industry have historically focused on investing in renewable technologies that have no emissions from production. However, to rapidly decrease emissions of greenhouse gases, such as carbon dioxide, could be done by sequestering the gas from point sources at the industry sites and thereafter transport it to geological formations on- and offshore in a process more commonly known as Carbon Capture and Storage. Even so, the Carbon Capture and Storage technology is relatively new and has not yet been implemented on an industrial scale in Sweden. The real potential of Carbon Capture and Storage in relation to helping the Swedish industry in reaching set up national and international environmental goals is therefore unknown. Here we show, via a literature review and performing interviews with stakeholders from the investigated field, that there is a big potential for Carbon Capture and Storage to mitigate carbon dioxide emissions from the Swedish industry and create negative emission rates by storing emissions originated from biogenic sources.   Our results demonstrate that there are regulatory, economic, environmental, and social measures that are needed to create a future market for Carbon Capture and Storage and trading with negative emissions. These include evaluating domestic storage sites, changing laws and regulations, and sharing knowledge between countries and companies to create a wider understanding of the technology. We anticipate that our study on the dynamics of a Carbon Capture and Storage market will help stakeholders to identify levers and restraints in the current market so that the transition towards net zero emissions will accelerate, especially when having the national 2045 net zero emission objective in mind. Nonetheless, there is a great need for research to understand such a market, and more specifically to create a consensus between stakeholders on a national and global level when creating it. / Att minska växthusgasutsläppen från den svenska industrin är centralt för att nå nationella och globala klimatmål och vidare bekämpa klimatförändringar som på en global skala resulterar i ekonomiska, miljömässiga och samhälleliga katastrofer. Historiskt sett har åtgärderna för att minska utsläppen av växthusgaser främst legat på satsningar inom förnybara tekniker där utsläppen från produktion är nästintill noll. Däremot behövs åtgärder för att snabbt minska utsläppen av växthusgaser, såsom koldioxid, där detta kan göras genom att avskilja koldioxiden från industriernas punktkällor och sedan lagra gasen på land och till havs genom en process som är mer känd under namnet koldioxidavskiljning och lagring. Trots detta är koldioxidavskiljning och lagring en relativt ny teknik som inte har tillämpats på industriell skala i Sverige. Teknologins verkliga potential för att uppfylla nationella och globala klimatmål är därför outforskad. Studien visar, genom en litteraturstudie och semistrukturerade intervjuer med intressenter inom forskningsområdet, att tekniken koldioxidavskiljning och lagring har stor potential när det kommer till att minska koldioxidutsläpp från den svenska industrin och även när det kommer till att skapa negativa emissioner av koldioxid genom lagring av biogen koldioxid.   Resultatet visar att det är regulatoriska, ekonomiska, miljömässiga och samhälleliga åtgärder som är nödvändiga för att skapa en framtida marknad för koldioxidavskiljning och lagring och handel med negativa utsläpp. Dessa innefattar utvärdering av inhemska lagringsplatser, ändring av lagar och regler samt att sprida och dela kunskap mellan länder och företag för att skapa en vidare förståelse av teknologin. Vi förutser att användningsområdet för studien av en framtida marknad för koldioxidavskiljning och lagring kan hjälpa intressenter inom forskningsområdet att identifiera åtgärder som kan verka som hävarm och även hinder för en framtida utveckling mot nettonollutsläpp. Detta då de svenska miljökvalitetsmålen fastslår att nettonollutsläpp senast ska nås år 2045. Däremot behövs vidare studier för att förstå en framtida marknad för koldioxidavskiljning och lagring samt negativa emissioner, mer specifikt behövs konsensus mellan intressenter på en nationell och global nivå för att skapa en sådan marknad.

Hydrocracking and hydrotreating are bitumen upgrading technologies designed to enhance fuel quality by decreasing its density, viscosity, boiling point and heteroatom content via hydrogen addition. The aim of this thesis is to model and simulate an upgrading and integrated gasification combined cycle then to evaluate the feasibility of integrating slurry hydrocracking, trickle-bed hydrotreating and residue gasification using the Aspen HYSYS® simulation software. The close-coupling of the bitumen upgrading facilities with gasification should lead to a hydrogen, steam and power self-sufficient upgrading facility with CO2 capture. Hydrocracker residue is first withdrawn from a 100,000 BPD Athabasca bitumen upgrading facility, characterized via ultimate analysis and then fed to a gasification unit where it produces hydrogen that is partially recycled to the hydrocracker and hydrotreaters and partially burned for power production in a high hydrogen combined cycle unit. The integrated design is simulated for a base case of 90% carbon capture utilizing a monoethanolamine (MEA) solvent, and compared to 65% and no carbon capture scenarios. The hydrogen production of the gasification process is evaluated in terms of hydrocracker residue and auxiliary petroleum coke feeds. The power production is determined for various carbon capture cases and for an optimal hydrocracking operation. Hence, the feasibility of the integration of the upgrading process and the IGCC resides in meeting the hydrogen demand of the upgrading facility while producing enough steam and electricity for a power and energy self-sufficient operation, regardless of the extent of carbon capture.

Ce travail vise à évaluer les performances de matériaux à base de silice et à rationaliser leur synthèse en fonction des propriétés d’adsorption recherchées (capacité et/ou sélectivité) en combinant des approches expérimentales et la modélisation de dynamique moléculaire. Ces matériaux devaient idéalement présenter une capacité d’adsorption CO2 mais également une sélectivité CO2 /CH4 élevées. Les différentes étapes de ce travail ont été :- la synthèse et la fonctionnalisation des matériaux de silice,- leur caractérisation texturale et chimique,- la détermination des capacités d’adsorption du CO2, de leur sélectivité CO2/CH 4 ,- les caractérisations par différentes techniques spectroscopiques et microscopiques des échantillons pour essayer de localiser l’adsorption du CO2 et mesurer sa mobilité,- l’identification microscopique par modélisation moléculaire des facteurs physico-chimiques influant sur l’adsorption préférentielle du CO2 et sa diffusivité dans le matériau hôte ainsi que sur le rôle du caractère hydrophile/hydrophobe du matériau de silice par le biais de sa fonctionnalisation.Ces objectifs ont nécessité la préparation de matériaux à surfaces spécifiques élevées par le biais d’un procédé sol-gel simple. Ces matériaux ont été modifiés afin d’obtenir un taux de fonctionnalisation par des groupements -CH3 suffisant pour modifier le caractère hydrophile du matériaux tout en conservant une surface spécifique suffisante. L’influence de la taille des pores a également été sondée.Les capacités d’adsorption des gaz sous pression ont été réalisées pour les gaz purs mais également sur des mélanges CO2/CH4 dans différentes proportions. La sélectivité CH 4 /CO 2 , souvent estimée à partir des isothermes des corps purs et/ou la méthode IAST, a dans ce cas été déterminée à partir de la mesure directe des isothermes des mélanges de gaz. Il est apparu que l’eau joue un rôle crucial sur les capacité et sélectivités d’adsorption. Ce paramètre est l’un de ceux qui a été étudié à travers les simulations de dynamiques moléculaires. L’influence de l’introduction de groupements hydrophobes a également été exploré.Les résultats obtenus par dynamique moléculaire sont dans l’ensemble en bon accord avec les données expérimentales. Ces deux approches parallèles expérience/théorie ont mis en évidence la sélectivité de l’un des matériaux pour des applications où l’effluent gazeux est peu chargé en CO 2 . / This work aims to evaluate the performance of silica-based materials and to rationalize their synthesis according to their desired adsorption properties (capacity and/or selectivity) by combining experimental approaches and the management of the molecular animal. These materials are ideally suited for CO2 adsorption capacity but also CO2/ CH4 selectivity. The different stages of this work were:- the synthesis and functionalization of the silica materials,- their textural and chemical characterization,- the determination of CO2 adsorption capacities, of their CO2/ CH4 selectivity.- the characterizations by various spectroscopic and microscopic techniques of tests to try to locate the adsorption of CO2 and to measure its mobility,- microscopic identification by the factor of physic-Factors influence the preferential adsorption of CO2 and its diffusivity in the role of hydrophilic / hydrophobic character in silica by functional.These objectives required the preparation of high specific surface materials through a simple sol-gel process. These materials have been modified in order to obtain a degree of functionalization with -CH3 groups sufficient to modify the hydrophilic nature of the material while maintaining a sufficient specific surface area. The influence of pore size was also probed.The adsorption capacities of the gases under pressure were carried out for pure gases but also on CO2/ CH4 mixtures in different proportions. The CH4/ CO2 selectivity, often estimated from the pure body isotherms and / or the IAST method, was in this case determined from the direct measurement of the isotherms of the gas mixtures. It has become apparent that water plays a crucial role in adsorption capacity and selectivity. This parameter is one of those studied through molecular dynamics simulations. The influence of the introduction of hydrophobic groups has also been explored.The results obtained by molecular dynamics are on the whole in good agreement with the experimental data. These two parallel experience / theory approaches have highlighted the selectivity of one of the materials for applications where the gaseous effluent is little loaded with CO2.

Hydrocracking and hydrotreating are bitumen upgrading technologies designed to enhance fuel quality by decreasing its density, viscosity, boiling point and heteroatom content via hydrogen addition. The aim of this thesis is to model and simulate an upgrading and integrated gasification combined cycle then to evaluate the feasibility of integrating slurry hydrocracking, trickle-bed hydrotreating and residue gasification using the Aspen HYSYS® simulation software. The close-coupling of the bitumen upgrading facilities with gasification should lead to a hydrogen, steam and power self-sufficient upgrading facility with CO2 capture. Hydrocracker residue is first withdrawn from a 100,000 BPD Athabasca bitumen upgrading facility, characterized via ultimate analysis and then fed to a gasification unit where it produces hydrogen that is partially recycled to the hydrocracker and hydrotreaters and partially burned for power production in a high hydrogen combined cycle unit. The integrated design is simulated for a base case of 90% carbon capture utilizing a monoethanolamine (MEA) solvent, and compared to 65% and no carbon capture scenarios. The hydrogen production of the gasification process is evaluated in terms of hydrocracker residue and auxiliary petroleum coke feeds. The power production is determined for various carbon capture cases and for an optimal hydrocracking operation. Hence, the feasibility of the integration of the upgrading process and the IGCC resides in meeting the hydrogen demand of the upgrading facility while producing enough steam and electricity for a power and energy self-sufficient operation, regardless of the extent of carbon capture.

The objective of this thesis is to provide an extensive description of the correlations in some of the most crucial sub-processes for hard coal fired IGCC with carbon capture (CC-IGCC). For this purpose, process simulation models are developed for four industrial gasification processes, the CO-shift cycle, the acid gas removal unit, the sulfur recovery process, the gas turbine, the water-/steam cycle and the air separation unit (ASU). Process simulations clarify the influence of certain boundary conditions on plant operation, performance and economics. Based on that, a comparative benchmark of CC-IGCC concepts is conducted. Furthermore, the influence of integration between the gas turbine and the ASU is analyzed in detail. The generated findings are used to develop an advanced plant configuration with improved economics. Nevertheless, IGCC power plants with carbon capture are not found to be an economically efficient power generation technology at present day boundary conditions.

The pressing global demand to transform to a low-carbon business community, which is required by the urgency of mitigating climate change, significantly alters the operating procedures for carbon emitters and carbon revenue generators alike. Although agricultural activities are not considered as heavy carbon emission source, the increased public focus on climate change has catapulted the exploitation of sustainable agricultural land management mitigating strategies as intervention by the sector. Additionally, the focus on market-based mechanism to address climate change, which has led to the evolution of cap-and-trade schemes, makes the agricultural sector become a source of low-cost carbon offsets. However, the fact that cap-and-trade schemes in the agricultural sector are voluntary has resulted into not only very diverse farming practices but also diverse accounting practices. The consequences of the diversity practices are that, the impacts on financial performance and position are not comparable. Therefore, the overall objective of this study was to investigate the recognition, measurement and disclosure for cap-and-trade schemes in the agricultural sectors This study was conducted through literature reviews and empirical test. A qualitative research approach utilising constructivist methodology was employed. Primary data was collected in Kenya by administering three sets of semi-structured questionnaires to drafters of financial statements, loan officers and financial consultants. Secondary data involved content analysis of financial statements and reports of listed entities across the globe. It was established that proper accounting for cap-and-trade schemes adaptation activities is critical to the success of an entity’s environmental portfolio. Additionally, a model for valuing an organisation's carbon capture potential as suggested by this study enables entities to better report the impact of the adaptation activities on the financial performance and financial position. The outcome of this study enables entities to integrate the carbon capture potential on an entity sustainability reporting framework. / Colleges of Economic and Management Sciences / D. Phil. (Accounting Science)

Questions that were answered in the dissertation: Which process is suitable to desulphurize biogas knowing that chemical absorption will be used to separate CO2? Which absorption solvent is suitable to separate CO2 from concentrated gases such as biogas at atmospheric pressure? What properties of the selected solvent, namely aqueous diglycolamine (DGA), are already known? How to determine solvent properties such as equilibrium CO2 solubility under absorption and desorption conditions using simple, but robust apparatuses? What values do solvent properties such as density, viscosity and surface tension take at various DGA contents and CO2 loadings? How do primary alkanolamine content and CO2 loading influence solvent properties? What is the optimal DGA content in the solvent? What is the optimal desorption temperature at atmospheric pressure? How can equilibrium CO2 solubility in aqueous DGA solvents be simulated? What is the uncertainty in the results? How to debottleneck an absorber and increase its gas-treating capacity? How to determine the optimal lean loading of the absorption solvent? What are the characteristics of the absorption process that uses aqueous DGA as the solvent to separate CO2 from biogas and is more energy efficient and safer than the state-of-the-art processes? How to quantitatively compare the hazards of absorption solvents? What is the disposition of the German population towards hazards from biogas plants? What are the favourable and adverse environmental impacts of biomethane? / Fragen, die in der Dissertation beantwortet wurden: Welches Verfahren ist zur Entschwefelung von Biogas geeignet, wenn die chemische Absorption zur CO2-Abtrennung genutzt wird? Welches Absorptionsmittel ist geeignet, um CO2 aus konzentrierten Gasen, wie Biogas, bei atmosphärischem Druck abzutrennen? Welche Eigenschaften des ausgewählten Absorptionsmittels, wässriges Diglykolamin (DGA), sind bereits bekannt? Wie wird die CO2-Gleichgewichtsbeladung unter Absorptions- und Desorptionsbedingungen mit einfachen und robusten Laborapparaten bestimmt? Welche Werte nehmen die Absorptionsmitteleigenschaften wie Dichte, Viskosität und Oberflächenspannung bei verschiedenen DGA-Gehalten und CO2-Beladungen? Wie werden die Absorptionsmitteleigenschaften durch den Primäramin-Gehalt und die CO2-Beladung beeinflusst? Was ist der optimale DGA-Gehalt im Absorptionsmittel? Was ist die optimale Desorptionstemperatur bei atmosphärischem Druck? Wie wird die CO2-Gleichgewichtsbeladung im wässrigen DGA simuliert? Welche Ungenauigkeit ist zu erwarten? Wie wird eine Absorptionskolonne umgerüstet, um die Kapazität zu erweitern? Wie wird die optimale CO2-Beladung des Absorptionsmittels am Absorbereintritt (im unbeladenen Absorptionsmittel) bestimmt? Was sind die Prozesseigenschaften eines Absorptionsverfahrens, das wässriges DGA als Absorptionsmittel nutzt sowie energieeffizienter und sicherer als Verfahren auf dem Stand der Technik ist? Wie kann das Gefahrenpotenzial von Absorptionsmittel quantitativ verglichen werden? Wie werden Gefahren aus einer Biogasanlage durch die deutsche Bevölkerung wahrgenommen? Welche positive und negative Umweltauswirkung hat Biomethan?

Hydrocracking and hydrotreating are bitumen upgrading technologies designed to enhance fuel quality by decreasing its density, viscosity, boiling point and heteroatom content via hydrogen addition. The aim of this thesis is to model and simulate an upgrading and integrated gasification combined cycle then to evaluate the feasibility of integrating slurry hydrocracking, trickle-bed hydrotreating and residue gasification using the Aspen HYSYS® simulation software. The close-coupling of the bitumen upgrading facilities with gasification should lead to a hydrogen, steam and power self-sufficient upgrading facility with CO2 capture. Hydrocracker residue is first withdrawn from a 100,000 BPD Athabasca bitumen upgrading facility, characterized via ultimate analysis and then fed to a gasification unit where it produces hydrogen that is partially recycled to the hydrocracker and hydrotreaters and partially burned for power production in a high hydrogen combined cycle unit. The integrated design is simulated for a base case of 90% carbon capture utilizing a monoethanolamine (MEA) solvent, and compared to 65% and no carbon capture scenarios. The hydrogen production of the gasification process is evaluated in terms of hydrocracker residue and auxiliary petroleum coke feeds. The power production is determined for various carbon capture cases and for an optimal hydrocracking operation. Hence, the feasibility of the integration of the upgrading process and the IGCC resides in meeting the hydrogen demand of the upgrading facility while producing enough steam and electricity for a power and energy self-sufficient operation, regardless of the extent of carbon capture.

This work presents model development and model analyses of CO2 storage in deep saline aquifers. The goal has been two-fold, firstly to develop models and address the system behaviour under geological heterogeneity, second to tackle the issues related to problem scale as modelling of the CO2 storage systems can become prohibitively complex when large systems are considered. The work starts from a Monte Carlo analysis of heterogeneous 2D domains with a focus on the sensitivity of two CO2  storage performance measurements, namely, the injectivity index (Iinj) and storage efficiency coefficient (E), on parameters characterizing heterogeneity. It is found that E and Iinj are determined by two different parameter groups which both include correlation length (λ) and standard deviation (σ) of the permeability. Next, the issue of upscaling is addressed by modelling a heterogeneous system with multi-modal heterogeneity and an upscaling scheme of the constitutive relationships is proposed to enable the numerical simulation to be done using a coarser geological mesh built for a larger domain. Finally, in order to better address stochastically heterogeneous systems, a new method for model simulations and uncertainty analysis based on a Gaussian processes emulator is introduced. Instead of conventional point estimates this Bayesian approach can efficiently approximate cumulative distribution functions for the selected outputs which are CO2 breakthrough time and its total mass. After focusing on reservoir behaviour in small domains and modelling the heterogeneity effects in them, the work moves to predictive modelling of large scale CO2  storage systems. To maximize the confidence in the model predictions, a set of different modelling approaches of varying complexity is employed, including a semi-analytical model, a sharp-interface vertical equilibrium (VE) model and a TOUGH2MP / ECO2N model. Based on this approach, the CO2 storage potential of two large scale sites is modelled, namely the South Scania site, Sweden and the Dalders Monocline in the Baltic Sea basin. The methodologies developed and demonstrated in this work enable improved analyses of CO2 geological storage at both small and large scales, including better approaches to address medium heterogeneity. Finally, recommendations for future work are also discussed.

Questions that were answered in the dissertation: Which process is suitable to desulphurize biogas knowing that chemical absorption will be used to separate CO2? Which absorption solvent is suitable to separate CO2 from concentrated gases such as biogas at atmospheric pressure? What properties of the selected solvent, namely aqueous diglycolamine (DGA), are already known? How to determine solvent properties such as equilibrium CO2 solubility under absorption and desorption conditions using simple, but robust apparatuses? What values do solvent properties such as density, viscosity and surface tension take at various DGA contents and CO2 loadings? How do primary alkanolamine content and CO2 loading influence solvent properties? What is the optimal DGA content in the solvent? What is the optimal desorption temperature at atmospheric pressure? How can equilibrium CO2 solubility in aqueous DGA solvents be simulated? What is the uncertainty in the results? How to debottleneck an absorber and increase its gas-treating capacity? How to determine the optimal lean loading of the absorption solvent? What are the characteristics of the absorption process that uses aqueous DGA as the solvent to separate CO2 from biogas and is more energy efficient and safer than the state-of-the-art processes? How to quantitatively compare the hazards of absorption solvents? What is the disposition of the German population towards hazards from biogas plants? What are the favourable and adverse environmental impacts of biomethane? / Fragen, die in der Dissertation beantwortet wurden: Welches Verfahren ist zur Entschwefelung von Biogas geeignet, wenn die chemische Absorption zur CO2-Abtrennung genutzt wird? Welches Absorptionsmittel ist geeignet, um CO2 aus konzentrierten Gasen, wie Biogas, bei atmosphärischem Druck abzutrennen? Welche Eigenschaften des ausgewählten Absorptionsmittels, wässriges Diglykolamin (DGA), sind bereits bekannt? Wie wird die CO2-Gleichgewichtsbeladung unter Absorptions- und Desorptionsbedingungen mit einfachen und robusten Laborapparaten bestimmt? Welche Werte nehmen die Absorptionsmitteleigenschaften wie Dichte, Viskosität und Oberflächenspannung bei verschiedenen DGA-Gehalten und CO2-Beladungen? Wie werden die Absorptionsmitteleigenschaften durch den Primäramin-Gehalt und die CO2-Beladung beeinflusst? Was ist der optimale DGA-Gehalt im Absorptionsmittel? Was ist die optimale Desorptionstemperatur bei atmosphärischem Druck? Wie wird die CO2-Gleichgewichtsbeladung im wässrigen DGA simuliert? Welche Ungenauigkeit ist zu erwarten? Wie wird eine Absorptionskolonne umgerüstet, um die Kapazität zu erweitern? Wie wird die optimale CO2-Beladung des Absorptionsmittels am Absorbereintritt (im unbeladenen Absorptionsmittel) bestimmt? Was sind die Prozesseigenschaften eines Absorptionsverfahrens, das wässriges DGA als Absorptionsmittel nutzt sowie energieeffizienter und sicherer als Verfahren auf dem Stand der Technik ist? Wie kann das Gefahrenpotenzial von Absorptionsmittel quantitativ verglichen werden? Wie werden Gefahren aus einer Biogasanlage durch die deutsche Bevölkerung wahrgenommen? Welche positive und negative Umweltauswirkung hat Biomethan?