Sharif Digital Repository

In the present work, adsorption of hydrogen molecules over a metal organic framework (MOF-5) has been investigated by using first principles density functional theory (DFT). Different strategies have been applied for improving hydrogen storage, i.e. metal doping, boron substitution and functionalization. The metal atoms used for enhancing hydrogen adsorption include Li, Ca and Sc. It is found that the binding energy between these metal atoms and MOF is not enough to prevent clustering. Therefore a number of carbon atoms are substituted by boron atoms and it is indicated that boron substitution enhances the binding energies, significantly. Also the results reveal that boron substituted MOF... 

In the present work, the interaction of hydrogen molecules with defective graphene structures doped by transition metal (TM) atoms is investigated by using first principles density functional theory (DFT). Defective graphene structures include Stone-Wales (SW), 585 and 555-777 and transition metals include early TMs, i.e. scandium (Sc), titanium (Ti) and vanadium (V). It is found that in comparison with the pristine graphene, presence of defects significantly enhances the metal binding. Among three defects, 585 divacancy leads to the strongest binding between graphene and metal. Hydrogen adsorption is then evaluated by sequential addition of hydrogen molecules to the system. The results... 

Inter-fuel substitution in the household sector depends on whether their target energy use is similar or not. To account for the effect of end-use application on energy demand, the concept of useful energy is utilized in which energy carriers are grouped according to their end-use applications. Useful energy is assumed as a commodity demanded to satisfy needs. Therefore, it should possess certain characteristics in accordance with the nature of basic needs. These characteristics were investigated through a two-level budgeting system with demographic variables indicating rural and urban households of Iran. The model has been applied to estimate the behavioural parameters such as income and... 

In the present work the interaction of hydrogen molecules with perfect, defective and scandium doped polycyclic aromatic hydrocarbon (PAH) has been evaluated. At first the potential barrier for the penetration of hydrogen molecules through PAH structures has been investigated and then the adsorption of hydrogen molecules over PAH structures has been studied. To model the graphene surface for barrier calculations, it is shown that coronene can successfully estimate the graphene monolayer. The barrier height is calculated for perfect and two different defective PAH structures including Stone-Wales (SW) and 585. It is found that PAH even with small defects is impermeable to hydrogen molecules.... 

The present paper focuses on medium-term effects of alternative windfall management strategies for a resource abundant country where the resource revenues are expected to last over a prolonged period. In particular, the trade-off between spending and saving is analyzed within the framework of a recursive dynamic computable general equilibrium model. The model is further validated against historical data available for 2001-2010. The total factor productivity is calculated endogenously in the model based on a function that reflects the changes in factor productivity. The results suggest that saving oil revenues, whether in an oil fund or through physical investment in domestic sectors, leads... 

In the natural gas transmission network, from supply points to demand nods there are various technological options that include processing, transportation, conversion and gas distribution. Comprehensive analysis of natural gas network requires evaluation of different chains of gas flow through various levels based on economical and environmental criteria subject to technical and operational constraints such as feasibility, operability and reliability of different alternatives. To aid decision-making process in the sector of natural gas, a generic optimization-based model has been developed for assessing long term energy issues related to planning and design of natural gas supply systems. The... 

Hydrogen appears as one of the most promising energy carriers. Hydrogen has the advantage of being the cleanest fuel and as a result it can efficiently help limiting the greenhouse effect. However one of the major barriers for the large scale use of hydrogen, especially in the transportation sector, is hydrogen storage issue. There are four different technologies for storing hydrogen which are as follows: (1) Cryogenic liquid hydrogen (LH); (2) compressed gas storage; (3) metal hydride storage technology; (4) Physisorption methods. Physisorption of hydrogen in novel carbon nanostructures such as carbon nanotubes and graphene seems to be a safe and promising method for storage of hydrogen.... 

A deterministic energy supply model with bottom-up structure has limited capability in handling the uncertainties. To enhance the applicability of such a model in an uncertain environment two main issues have been investigated in the present paper. First, a binomial lattice is generated based on the stochastic nature of the source of uncertainty. Second, an energy system model (ESM) has been reformulated as a multistage stochastic problem. The result of the application of the modified energy model encompasses all uncertain outcomes together and enables optimal timing of capacity expansion. The performance of the model has been demonstrated with the help of a case study. The case study has... 

Phase identification is an important aspect of flash calculations which can affect the phase and chemical equilibria. A new simultaneous approach for reactive mixtures, based on τ-method which relies on modification equation for mole fraction summation, is introduced in this paper. In the proposed methodology, phase identification and solution of governing equations can be performed simultaneously and effectively. In addition, prior knowledge of the number of phases in advance is not required. Present methodology has been verified with the help of case studies and results are discussed in the present paper. The results indicate that the present method gives us information about presence of... 

Development of a model for optimal power generation from the thermal oxidation of a low concentration coal bed mine has been considered as the main objective of this investigation. The model has been applied to identify the optimal thermodynamic characteristics of the power generation system through using a mixture with 1.6% methane concentration in a recuperative lean-burn gas turbine and coupling a gas engine to the system for more power generation from the remaining coal bed methane. The implementation of the model based on the real site condition would lead to the generation of 6.97 MW electricity in Tabas coal mine of Iran. © 2016 Taylor & Francis  

Environmental considerations have imposed new restrictions in the planning and management of energy systems. This research aims at describing the necessity and application of a new concept in environmental responsibility accounting. The method is based on physical quantities to overcome the weaknesses of already developed allocation approaches, and to internalize the external environmental damages using the exergy concept. The proposed method is a modification of the exergoenvironmental analysis in order to take into account the effect of non-energy streams in a macro-level energy system. In the proposed method, environmental responsibilities are to be calculated based on the exergy... 

The present study investigates the possibility of using a small hydropower/PV hybrid power system for low-cost electricity production which can satisfy the energy load requirements of a typical rural-urban area. In this context, the optimal dimensions to improve the technical and economical performances of the hybrid system are determined according to the load energy requirements and the solar and hydro resources data using linear programming. The application of the model is demonstrated using a case study of a rural-urban area in Mazandaran province, Iran. Two scenarios were considered for optimizing the system components. In the first scenario, a stand-alone hybrid small hydropower/PV... 

Sustainable economic growth and improvement of the social welfare depend upon the sufficient supply of energy resources, while the utilization of energy resources is one of the main factors of environmental degradation. This research is involved with development of a sustainable energy system model and a new method for sustainability assessment. This model represents the flow of energy from primary resources through processing, conversion, and end-use technologies in an optimization framework where the useful energy demand in various social and economic sectors is met. The impact of energy supply and consumption chain on the environment at each level of energy system is also embedded in the... 

Climate change as a serious environmental issue has been subjected to many management studies. Yet the issue of allocating global responsibilities to emission reduction in a reasonable way is an unconcluded challenge. Two main groups of responsibility allocation systems are production-based responsibilities (PBR) and consumption-based responsibilities (CBR). PBR takes territorial emissions within borders into account that is applied to global policy makings by the Intergovernmental Panel on Climate Change (IPCC). In contrast, CBR considers the emission transfers through international trade and allocates the responsibilities based on the goods and services being consumed by each country. Both... 

Energy innovation is essential for tackling climate change. However, an established set of indicators, that can support policy makers in their design of policy mixes, has not been developed for evaluating the performance of energy innovation systems. The purpose of this study is, therefore, to list and classify a large set of indicators of the performance of energy innovation systems at sectoral and technological levels. 120 listed indicators are evaluated using four usefulness criteria, demonstrating significant weaknesses in the available indicators. The indicators are also classified according to an innovation process categorization to see if they cover all aspects of an innovation system... 

The major objective of this study is to provide an analytical tool to identify the role of investment on innovation in the process of new technologies development. To achieve this goal, a model of knowledge flow is developed and the effects of national and international knowledge spillovers are investigated. Results show that when knowledge spillovers are modelled in the Nordic countries, the required investment on domestic energy R&D decreases and the cumulative knowledge increases to 10.7 billion USD by 2030. This is a significant economic potential for technological innovation which can be considered for both energy researchers and energy planners. Finally, some important policy insights... 

In the present research work, an environmental policy procedure for setting a cap on emissions, as a crucial step in any total emission control system, has been provided and evaluated. It is shown that general regulations on emission intensities and rates do not guarantee that ambient air quality standards are met in intense industrial zones. Local emission limits are necessary to meet ambient air quality standards in these zones. To that end, we used dispersion simulators to back-calculate pollutant concentration thresholds for a large and intense energy system in the Assaluyeh region of southern Iran. Verified modeling results indicate 218 d of pollutant concentration threshold exceedance... 

This paper addresses a low complexity and high efficient cooling system applicable on photovoltaic (PV) system leading to enhance electrical efficiency and provide preheated water. The developed system consists of a photovoltaic panel, a cooling water system establishing a uniform surface temperature, and a solar water heater. According to the proposed system characteristics, the setup is constructed based on a single mono-crystalline solar panel to absorb more solar radiation intensity and generate more electrical energy per area in compare to a poly-crystalline panel. The preheated water produced by absorbed heat from the photovoltaic is conducted to a solar water heater to satisfy... 

Energy innovation is a key requirement to limit global warming and tackle climate change in the years to come. A better understanding of the public R&D mechanism is likely to improve allocation of resources for energy innovation. Thus, the present paper evaluates the impacts of public R&D and knowledge spillovers on the development of renewable energy sources. To achieve this goal, knowledge flow has been modeled as a function of public R&D expenditures, cumulative knowledge stocks and knowledge spillovers. To show the application of the model, the Nordic countries as one of the pioneers in renewable technologies have been chosen. Results show the cumulative knowledge stock will increase to... 

This paper addresses a low complexity and high efficient cooling system applicable on photovoltaic (PV) system leading to enhance electrical efficiency and provide preheated water. The developed system consists of a photovoltaic panel, a cooling water system establishing a uniform surface temperature, and a solar water heater. According to the proposed system characteristics, the setup is constructed based on a single mono-crystalline solar panel to absorb more solar radiation intensity and generate more electrical energy per area in compare to a poly-crystalline panel. The preheated water produced by absorbed heat from the photovoltaic is conducted to a solar water heater to satisfy...