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Fast pyrolysis bio-oil is considered a highly preferable supplement to conventional fossil fuels. However, the direct application of pyrolysis bio-oil is limited due to poor fuel properties. Emulsification of bio-oil with diesel using a solvent is considered a relatively straightforward technique for utilizing bio-oil directly with diesel. In this study, new solvents were studied with the aid of sonication to produce a stable emulsion of diesel and bio-oil. 2-Octanol, 2-Heptanol and 2-Octanone were selected as solvents based on computer-aided molecular design (CAMD) method. Bio-oil was blended with 5, 10, 15 and 20 wt% of 2-Octanol using sonication. The solvent-oil blends with different solvents (2-Heptanol and 2-Octanone) at 20 wt% were also investigated for extracting organics from bio-oil. Subsequently, sonication-assisted emulsification of the solvent-extracted bio-oil with diesel was conducted with the aid of a composite surfactant with a hydrophilic-lipophilic balance (HLB) value of 7. Extraction of bio-oil with 20 wt% of 2-Octanol provided a maximum organic yield of 37.9 ± 1.3 % with a Higher Heating Value (HHV) of 31.9 MJ/kg. The desired ratio for emulsification was found to be 80: 15: 5 (diesel: surfactant: solvent-extracted bio-oil). The emulsion samples showed promising quality with an HHV of 44.0 MJ/kg and a pH of 8.0 ± 0.1. Moreover, no phase separation was observed even after the accelerated ageing process at 80 ºC for 24 hours. The results showed that all three solvents had an overall positive effect on the extraction of organics from bio-oil and aided in emulsification with diesel in which 2-Octanol was the most effective solvent for achieving a stable diesel – bio-oil emulsion.

Oleochemical industry produced substantial palm process residue during hydrogenation process of fatty acid/methyl ester, containing medium- to long-chain fatty alcohols and alkanes with overlapping boiling points. Recovering fatty alcohols for sale and utilizing alkanes for jet fuel, lubricants, and gasoline is beneficial. However, separating them through conventional distillation (CD) is challenging and expensive due to the difficulty in achieving the necessary temperature differentials for phase changes, especially with high reflux ratio required. To address this challenge, extractive distillation (ED) with an entrainer, designed through computer-aided molecular design (CAMD), was employed. However, implementing ED with a high boiling entrainer is challenging due to the high boiling point of the target components. Therefore, the design of the entrainer focused on the relative volatilities (α) of involved components and associated utility costs. Then, Aspen HYSYS was employed to evaluate the performance of the designed entrainer through product purity and economic analysis. For the separation of C10OH and n-C12, octane and dimethylcyclohexane were generated as entrainers. Dimethylcyclohexane entrainer demonstrated superior separation and generated higher profit than octane entrainer. For the separation of C12OH and n-C14, n-C15 was generated as entrainer to replace the infeasible CD. Therefore, the study concluded that ED with tailored entrainer can effectively replace CD for separating fatty alcohols from alkanes, demonstrating significant industrial feasibility.

Nowadays, fragrance molecules have become a focal point in formulated products, aimed at attracting customers. However, there have been notable clinical cases involving allergies caused by these fragrance molecules in various products. Thus, the purpose of this study is to design a fragrance molecule that not only offers a pleasant and long-lasting scent but is also safe for users. A computer-aided molecular design (CAMD) model is employed to achieve this. The desirable attributes of fragrance molecules are identified and then translate these attributes into their corresponding properties. Machine learning is applied to develop prediction models for odor properties, while property prediction models are used to identify for other target properties. A CAMD model is developed using LINGO which encompasses the constraints and rules generated. Fuzzy optimization involved to address the multi-objective scenario. Upon the implementation of CAMD approach, the molecules generated all met the technical requirements. The molecules generated undergo safety and health assessment to eliminate the hazard fragrance molecule. Among these molecules, 2-methoxyethyl acetate emerges as the optimal fragrance molecule. It exhibits a higher diffusion coefficient and poses minimum hazards, ensuring both a pleasing fragrance and user safety.

International conglomerates often take financial risks by investing funds in potential projects without conducting comprehensive assessments of the uncertainties associated with economic and political factors, which contribute to overall international business risks. In this study, an analytic hierarchy process (AHP) based approach has been developed as a practical decision-making tool for project selection in project management. The AHP enables the identification of the most valuable projects among various potential options, ensuring that investors benefit from the proposed advantages outlined in the project business plans. The capital expenditure (CAPEX), operating expenditure (OPEX), environment, social and governance (ESG) and ease of business (EOB) are the criteria selected and organised into a hierarchical framework of the AHP. The projects under each criterion are prioritised by assigning overall weights through pairwise matrix comparisons. To ensure the reliability and consistency of the pairwise comparisons, the eigenvector method is employed to evaluate the consistency of the economic freedom sub-criterion under EOB. Similarly, the AHP is applied to the CAPEX, OPEX and ESG criteria using consistent scoring and rating systems for pairwise comparisons, which enables the determination of their overall weights. Based on the analysis, the relative weightage of each decision criterion has been identified, and the score of each project has been estimated. LNG import and re-gasification terminal in Southwest India is chosen as the project with the greatest potential to fulfil the diverse requirements of the companies. Capital cost contributes the most to this decision because the projects considered in this case are highly capital intensive. At the same time, the overall scores of four projects are comparable, and thus, the final decision selection may also be based on the specific priorities of the investors.

•Non-placement WIL projects promote post-pandemic work-related skills in engineering.•Communication technology enables global collaboration with industrial experts.•Creativity, innovation and adaptability are essential to solve industrial problems.•Technology skills are crucial to learn and relearn the latest industrial technology.•Challenging industrial problems promote autonomy and higher order thinking skills.

This paper presents a systematic framework of computer-aided molecular design (CAMD), to design solvents that can improve the critical properties of bio-oil. CAMD tools have been used in this work to improve the key properties of bio-oil such as heating value, water content, viscosity, acidity and stability in storage. The design of both non-reactive and reactive solvents has been covered in this work. In both cases, the main objective was to design solvents that form the bio-oil solvent blend with minimum solvent content. In order to model the bio-oil, five major components in the bio-oil are used and the solvent design problem focussed on designing this surrogate solvent. Mixing rules have been employed to estimate the properties of various bio-oil solvent blends. The main objective is to compute the minimum amount of solvent needed by identifying the optimal combination of functional groups for the solvent molecules. The improvement in properties had been tracked using group contribution models. This work also presents a framework to design solvents that improve bio-oil properties by undergoing chemical reactions with the bio-oil components. In order to ensure the homogeneity after solvent addition, miscibility test between solvent and bio-oil is conducted using appropriate thermodynamic models. Based on the results, the use of mixtures of alkene and alcohol is more recommended as the optimal blend solvents since the mass fraction and viscosity could be balanced to meet the final heating value target and viscosity constraints of the blends.

This Article presents a Computer Aided Molecular Design (CAMD) framework that considers both the solute extraction and the solvent recovery steps simultaneously during the solvent design. The choice of a solvent has a significant role not only on the effectiveness of the process, but also on the safety, health, and environmental impact. In addition, the energy required for solvent regeneration is dependent on both the chosen solvent and its recovery techniques. Therefore, we have incorporated physicochemical property targets, safety, health, and environmental (SHE) aspects and utilities cost needed to recover the solvent during the design stage. Fuzzy Analytic Hierarchy Process (FAHP) weighting approach is applied to assign consistent weights to the multiple objective functions. Through this approach, the designed solvents with favorable functionalities can be recovered through an economically efficient and environment friendly process. The developed methodology is used to design a solvent to be used in palm oil industry for residual oil extraction from palm pressed fiber.