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Bamboo is a fast-growing plant with properties such as low cost, abundant resources, and good carbon sequestration effect. However, the swift growth of bamboo resources generates an immense quantity of processing waste, which is necessary to effectively utilize bamboo processing waste. The leftovers from bamboo processing can be reutilized by fast pyrolysis to prepare renewable bio-oil. In this study, bamboo bio-oil was partially substituted for phenol to synthesize phenolic resin with different substitution rates under the action of an alkaline catalyst, and then to serve as the adhesive to produce bamboo scrimber. Bamboo bundles were impregnated with synthetic bio-oil phenolic resin to create bamboo scrimber, which was subsequently hot-pressed. The research shows that modified phenolic resins with a bio-oil substitution rate of under 30% have good physical and chemical properties, while the free aldehyde content of phenolic resin with 40% bio-oil substitution exceeds the limit value (0.3%) specified in the Chinese National Standard. The thermal stability of phenolic resins was also increased after bio-oil modification, indicated by the movement of the TG curve to higher temperature ranges. It was found that the bamboo scrimber prepared with 20% BPF resin adhesive had the best comprehensive properties of a good mechanical strength, hydrophobicity, and mildew resistance, particularly with an elastic modulus of 9269 MPa and a static bending strength of 143 MPa. The microscopic morphology showed that the BPF resin was well impregnated into the interior of the bamboo bundle and had a compact bonding structure within the bamboo scrimber. The anti-mold performance experiment found that the bio-oil-modified resin increased the anti-mold level of the bamboo scrimber from slightly corrosion-resistant to strong corrosion-resistant. The conclusions obtained from this study have a good reference value for achieving the comprehensive utilization of bamboo, helping to promote the use of all components, reduce the production cost of bamboo scrimber, and improve its mildew resistance performance. This provides new ideas for the development of low-cost mildew resistant bamboo scrimber novel materials. [ABSTRACT FROM AUTHOR]

The photoinduced unimolecular decay of the electronically excited HCO(Ã2A′′) is investigated in a combined experimental–theoretical study. The molecule is excited to the (1, n2, 0) combination bands, which decay via Renner–Teller coupling to the ground electronic state. The rovibrational state distribution of the CO fragment was measured via the high-n Rydberg H-atom time-of-flight method and calculated using a wave packet method on an accurate set of potential energy surfaces. It is shown that the non-adiabatic decay rate is strongly modulated by the HCO rotational angular momentum, which leaves unique signatures in the product state distribution. The experimentally observed bimodal rotational distribution of the dominant CO(v = 0) fragment is likely due to decay of different vibronic states populated by the excitation and modulated by the excited state lifetime, which is in turn controlled by the parent rotational quantum number. [ABSTRACT FROM AUTHOR]

In this work, high-fidelity full-dimensional potential energy surfaces (PESs) of the ground (X̃2 A′) and first doublet excited (Ã2 A″) electronic states of HCO were constructed using neural network method. In total, 4624 high-level ab initio points have been used which were calculated at Davidson corrected internally contracted MRCI-F12 level of theory with a quite large basis set (ACV5Z) without any scaling scheme. Compared with the results obtained from the scaled PESs of Ndengué et al., the absorption spectrum based on our PESs has slightly larger intensity, and the peak positions are shifted to smaller energy for dozens of wavenumbers. It is indicated that the scaling of potential energy may make some unpredictable difference on the dynamical results. However, the resonance energies based on those scaled PESs are slightly closer to the current available experimental values than ours. Nevertheless, the unscaled high-level PESs developed in this work might provide a platform for further experimental and theoretical photodissociation and collisional dynamic studies for HCO system. [ABSTRACT FROM AUTHOR]

Full-dimensional adiabatic potential energy surfaces of the electronic ground state X̃ and nine excited states Ã, Ĩ, B̃, C̃, D̃, D̃′, D̃″, Ẽ′ and F̃ of H2O molecule are developed at the level of internally contracted multireference configuration interaction with the Davidson correction. The potential energy surfaces are fitted by using Gaussian process regression combining permutation invariant polynomials. With a large selected active space and extra diffuse basis set to describe these Rydberg states, the calculated vertical excited energies and equilibrium geometries are in good agreement with the previous theoretical and experimental values. Compared with the well-investigated photodissociation of the first three low-lying states, both theoretical and experimental studies on higher states are still limited. In this work, we focus on all the three channels of the highly excited state, which are directly involved in the vacuum ultraviolet photodissociation of water. In particular, some conical intersections of D̃–Ẽ′, Ẽ′-F̃, ÖĨ and Ĩ–C̃ states are clearly illustrated for the first time based on the newly developed potential energy surfaces (PESs). The nonadiabatic dissociation pathways for these excited states are discussed in detail, which may shed light on the photodissociation mechanisms for these highly excited states. [ABSTRACT FROM AUTHOR]