Bayesian Optimized Oscillating Electric Heating of Dicyclopentadiene and Norbornene for Fuel Production

Abstract

Tetracyclo[6,2,1,01,7,13,6]dodecene (TCD) is conventionally synthesized by continuous heating of norbornene (NBE) and dicyclopentadiene (DCPD), in which the synthesis rate and isomer selectivity are hardly improved under such near equilibrium conditions. In this study, an alternative thermochemical synthesis technique using direct electric heating is present. Alternate heating and cooling of the reaction mixture can be rapidly realized by programmable electric current flowing in the reactor tube. The reaction has been switched in a timely fashion between high temperature and low temperature at a given speed. At a high temperature, the active intermediate of cyclopentadiene (CPD) quickly forms. Rapid cooling ensures the nonequilibrium kinetic control of CPD copolymerization for increasing the selectivity. The energy cost is reduced by lowering the average temperature. As optimized by the Bayesian method, the operating conditions of oscillating heating (e.g., amplitude, frequency, pressure, and so on) are determined to precisely match the time scales of fast generation and directed consumption of CPD. The oscillating heating method leads to a high yield of endo,exo-TCD (62.4% versus 11.6% by the conventional continuous-heating method). High-energy-density fuels with good low-temperature fluidity are prepared using hydrogenated TCD as the key component.

Alternate Preparation of Norbornene and Dimethanooctahydronaphthalene via Diels–Alder Reaction: Process Simulation and Experimental Verification

“…As shown in Figure , the DMON selectivity gradually increased as the molar ratio of NBE to CPD increased from 1:1 to 1:5, demonstrating that sufficient NBE was conducive to DMON production. However, with the increasing molar ratio of NBE to CPD, CPD conversion showed a slight decreasing trend, which was mainly due to the dilution and dispersion of CPD caused by excessive NBE . On balance, the optimum molar ratio of NBE to CPD was determined to be 4:1.…”

“…However, with the increasing molar ratio of NBE to CPD, CPD conversion showed a slight decreasing trend, which was mainly due to the dilution and dispersion of CPD caused by excessive NBE. 38 On balance, the optimum molar ratio of NBE to CPD was determined to be 4:1. At the optimum molar ratio, CPD conversion and DMON selectivity were determined to be 84.1 and 90.7%, respectively.…”

Ion transport in nanofluidics under external fields

“…In addition to 2D nanosheet-based nanofluidic systems, hybrid nanofluidic membranes with different structures have also been conventionally used in ion pump systems. 263 Yang and co-workers fabricated a Janus microporous membrane by combining reduced graphene oxide (rGO) and a conjugated microporous polymer (CMP) for active ion transport and the direction of the ion flow can be controlled by manipulating the junction architecture. 38 Moreover, the MOF membrane enable precise and robust optoelectronic ion transport modulation, driving uphill cation transport with light, which results from the Schottky barrier formed upon decoration with platinum nanoparticles that facilitated charge separation.…”