h i g h l i g h t sA carbon utilisation plant that synthesise methanol is simulated in CHEMCAD. The total amount of CO 2 demand is 1.46 t/t methanol . The CO 2 not-produced compared to a conventional plant is 0.54 t/t methanol . Production costs results too high for a financially attractive project. There is a net potential for CO 2 emissions reduction of 2.71 MtCO 2 /yr in Europe. g r a p h i c a l a b s t r a c t a b s t r a c t The purpose of this paper is to assess via techno-economic and environmental metrics the production of methanol (MeOH) using H 2 and captured CO 2 as raw materials. It evaluates the potential of this type of carbon capture and utilisation (CCU) plant on (i) the net reduction of CO 2 emissions and (ii) the cost of production, in comparison with the conventional synthesis process of MeOH Europe. Process flow modelling is used to estimate the operational performance and the total purchased equipment cost; the flowsheet is implemented in CHEMCAD, and the obtained mass and energy flows are utilised as input to calculate the selected key performance indicators (KPIs). CO 2 -based metrics are used to assess the environmental impact. The evaluated MeOH plant produces 440 ktMeOH/yr, and its configuration is the result of a heat integration process. Its specific capital cost is lower than for conventional plants. However, raw materials prices, i.e. H 2 and captured CO 2 , do not allow such a project to be financially viable. In order to make the CCU plant financially attractive, the price of MeOH should increase in a factor of almost 2, or H 2 costs should decrease almost 2.5 times, or CO 2 should have a value of around 222 €/t, under the assumptions of this work. The MeOH CCU-plant studied can utilise about 21.5% of the CO 2 emissions of a pulverised coal (PC) power plant that produces 550 MW net of electricity. The net CO 2 emissions savings represent 8% of the emissions of the PC plant (mainly due to the avoidance of consuming fossil fuels as in the conventional MeOH synthesis process). The results demonstrate that there is a net but small potential for CO 2 emissions reduction; assuming that such CCU plants are constructed in http://dx.Europe to meet the MeOH demand growth and the quantities that are currently imported, the net CO 2 emissions reduction could be of 2.71 MtCO 2 /yr.

Available online xxxKeywords: Carbon dioxide utilisation Process modelling Conceptual design Formic acid synthesis Hydrogen carrier Storage of renewable electricity a b s t r a c tThe future of carbon dioxide utilisation (CDU) processes, depend on (i) the future demand of synthesised products with CO 2 , (ii) the availability of captured and anthropogenic CO 2 , (iii) the overall CO 2 not emitted because of the use of the CDU process, and (iv) the economics of the plant. The current work analyses the mentioned statements through different technological, economic and environmental key performance indicators to produce formic acid from CO 2 , along with their potential use and penetration in the European context. Formic acid is a well-known chemical that has potential as hydrogen carrier and as fuel for fuel cells.This work utilises process flow modelling, with simulations developed in CHEMCAD, to obtain the energy and mass balances, and the purchase equipment cost of the formic acid plant. Through a financial analysis, with the net present value as selected metric, the price of the tonne of formic acid and of CO 2 are varied to make the CDU project financially feasible. According to our research, the process saves CO 2 emissions when compared to its corresponding conventional process, under specific conditions. The success or effectiveness of the CDU process will also depend on other technologies and/or developments, like the availability of renewable electricity and steam.

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In this work, a systematic approach based on nonlinear experimental design as an efficient tool for the validation of kinetic models is proposed which has the objective of computing experimental layouts, setups, and controls in order to optimize the statistical reliability of parameter estimates from the resulting experimental data. Furthermore, because the optimum experimental design is dependent on the values of the parameters, a sequential design is proposed. This represents an interaction between proposed experiments (e.g., inlet temperature and concentration), their evaluation, parameter estimation, and new design information such as reactor layout, sampling points, and temperature measurement positions. This follows an iterative procedure until all parameters achieve a prescribed statistical quality. Because of the fact that the overlaying optimization problem contains a highly nonlinear objective function, a hybrid optimization framework is also proposed to overcome the problem of local minima. To show the efficiency of the developed framework, it has been applied to the contact reaction. This reaction is a basic step in the sulfuric acid production and is carried out in a catalytic fixed-bed reactor called the contact horde.